primary_name,cas_number,cid,iupac_name,canonical_smiles,inchi,inchi_key,molecular_formula,molecular_weight,exact_mass,xlogp,tpsa,complexity,charge,h_bond_donor_count,h_bond_acceptor_count,rotatable_bond_count,heavy_atom_count,flash_point,boiling_point,acute_aquatic_toxicity,acute_toxicity_dermal,acute_toxicity_inhalation,acute_toxicity_oral,aspiration_hazard,carcinogenicity,chronic_aquatic_toxicity,eye_damage_irritation,flammable_liquids,flammable_solids,germ_cell_mutagenicity,metal_corrosion,organic_peroxides,reproductive_toxicity,respiratory_sensitization,self_reactive_substances,skin_corrosion_irritation,skin_sensitization,stot_repeated_exposure,stot_single_exposure
PYRIDINE-D5,007291-22-7,558519,"2,3,4,5,6-pentadeuteriopyridine",[2H]C1=C(C(=NC(=C1[2H])[2H])[2H])[2H],"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D",JUJWROOIHBZHMG-RALIUCGRSA-N,C5H5N,84.13,84.07358289,0.7,12.9,30,0,0,1,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
4-TRIFLUOROMETHYLPYRIDINE,003796-24-5,138055,4-(trifluoromethyl)pyridine,C1=CN=CC=C1C(F)(F)F,"InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H",IIYVNMXPYWIJBL-UHFFFAOYSA-N,C6H4F3N,147.1,147.0295836,1.7,12.9,104,0,0,4,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIFLUOROPYRIDINE",003512-17-2,2783289,"2,4,6-trifluoropyridine",C1=C(C=C(N=C1F)F)F,InChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H,UZDRWXKBKVVUTE-UHFFFAOYSA-N,C5H2F3N,133.07,133.0139336,1.8,12.9,88,0,0,4,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PYRIDINE-15N,034322-45-7,12196969,(115N)pyridine,C1=CC=[15N]C=C1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i6+1,JUJWROOIHBZHMG-PTQBSOBMSA-N,C5H5N,80.09,80.03923406,0.7,12.9,30,0,0,1,0,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PYRIDINE,000110-86-1,1049,pyridine,C1=CC=NC=C1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,JUJWROOIHBZHMG-UHFFFAOYSA-N,C5H5N,79.1,79.04219916,0.7,12.9,30,0,0,1,0,6,"68 °F (NTP, 1992)","239 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYLPYRIDINE,000108-99-6,7970,3-methylpyridine,CC1=CN=CC=C1,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",ITQTTZVARXURQS-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,1.2,12.9,52,0,0,1,0,7,"97 °F (NTP, 1992)","290 to 291 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-BROMOPYRIDINE,000109-04-6,7973,2-bromopyridine,C1=CC=NC(=C1)Br,InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H,IMRWILPUOVGIMU-UHFFFAOYSA-N,C5H4BrN,158,156.95271,1.4,12.9,56,0,0,1,0,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-PICOLINE,000108-89-4,7963,4-methylpyridine,CC1=CC=NC=C1,"InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",FKNQCJSGGFJEIZ-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,1.2,12.9,46,0,0,1,0,7,"134 °F (NTP, 1992)","292.8 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHYLPYRIDINE",000108-75-8,7953,"2,4,6-trimethylpyridine",CC1=CC(=NC(=C1)C)C,"InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3",BWZVCCNYKMEVEX-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.9,12.9,80,0,0,1,0,9,58 °C,170.4 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPYRIDINE,000626-55-1,12286,3-bromopyridine,C1=CC(=CN=C1)Br,InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H,NYPYPOZNGOXYSU-UHFFFAOYSA-N,C5H4BrN,158,156.95271,1.6,12.9,56,0,0,1,0,7,51 °C,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLPYRIDINE,000536-75-4,10822,4-ethylpyridine,CCC1=CC=NC=C1,"InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3",VJXRKZJMGVSXPX-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.6,12.9,55,0,0,1,1,8,,,0,0,0,0,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
2-PYRIDINECARBOXALDEHYDE,001121-60-4,14273,pyridine-2-carbaldehyde,C1=CC=NC(=C1)C=O,InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H,CSDSSGBPEUDDEE-UHFFFAOYSA-N,C6H5NO,107.11,107.0371138,0.4,30,82,0,0,2,1,8,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
3-PYRIDINECARBOXALDEHYDE,000500-22-1,10371,pyridine-3-carbaldehyde,C1=CC(=CN=C1)C=O,InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H,QJZUKDFHGGYHMC-UHFFFAOYSA-N,C6H5NO,107.11,107.0371138,0.3,30,82,0,0,2,1,8,,,0,0,0,1,0,0,1,1,1,0,1,0,0,0,1,0,1,1,0,1
"3,5-LUTIDINE",000591-22-0,11565,"3,5-dimethylpyridine",CC1=CC(=CN=C1)C,"InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3",HWWYDZCSSYKIAD-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.8,12.9,62,0,0,1,0,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"3,4-LUTIDINE",000583-58-4,11417,"3,4-dimethylpyridine",CC1=C(C=NC=C1)C,"InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3",NURQLCJSMXZBPC-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.6,12.9,70,0,0,1,0,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-VINYLPYRIDINE,000100-69-6,7521,2-ethenylpyridine,C=CC1=CC=CC=N1,"InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2",KGIGUEBEKRSTEW-UHFFFAOYSA-N,C7H7N,105.14,105.0578492,1.5,12.9,78,0,0,1,1,8,The Guide in the 42 °C,159.5 °C,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"2,3,6-TRIMETHYLPYRIDINE",001462-84-6,15100,"2,3,6-trimethylpyridine",CC1=C(N=C(C=C1)C)C,"InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3",UTBIMNXEDGNJFE-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,12.9,90,0,0,1,0,9,,"343 to 345 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPYRIDINE,000700-16-3,69690,"2,3,4,5,6-pentafluoropyridine",C1(=C(C(=NC(=C1F)F)F)F)F,InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8,XTGOWLIKIQLYRG-UHFFFAOYSA-N,C5F5N,169.05,168.9950898,2,12.9,129,0,0,6,0,11,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
3-VINYLPYRIDINE,001121-55-7,14272,3-ethenylpyridine,C=CC1=CN=CC=C1,"InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2",DPZYLEIWHTWHCU-UHFFFAOYSA-N,C7H7N,105.14,105.0578492,1.4,12.9,78,0,0,1,1,8,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
2-METHYL-5-VINYLPYRIDINE,000140-76-1,8817,5-ethenyl-2-methylpyridine,CC1=NC=C(C=C1)C=C,"InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3",VJOWMORERYNYON-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,2,12.9,98,0,0,1,1,9,"165 °F (EPA, 1998)","358 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"PYRIDINE, 2,3-DIMETHYL-",000583-61-9,11420,"2,3-dimethylpyridine",CC1=C(N=CC=C1)C,"InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3",HPYNZHMRTTWQTB-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.6,12.9,70,0,0,1,0,8,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYLPYRIDINE,000109-06-8,7975,2-methylpyridine,CC1=CC=CC=N1,"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",BSKHPKMHTQYZBB-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,1.1,12.9,52,0,0,1,0,7,"97 °F (NTP, 1992)","262 to 264 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2,6-LUTIDINE",000108-48-5,7937,"2,6-dimethylpyridine",CC1=NC(=CC=C1)C,"InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",OISVCGZHLKNMSJ-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.7,12.9,62,0,0,1,0,8,33 °C,144 °C @ 760 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PROPYLPYRIDINE,000622-39-9,69320,2-propylpyridine,CCCC1=CC=CC=N1,"InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3",OIALIKXMLIAOSN-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.8,12.9,71,0,0,1,2,9,,169.00 to 171.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLPYRIDINE,000100-71-0,7523,2-ethylpyridine,CCC1=CC=CC=N1,"InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3",NRGGMCIBEHEAIL-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.7,12.9,61,0,0,1,1,8,,,0,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,5-LUTIDINE",000589-93-5,11526,"2,5-dimethylpyridine",CC1=CN=C(C=C1)C,"InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3",XWKFPIODWVPXLX-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.6,12.9,70,0,0,1,0,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-ETHYLPYRIDINE,000536-78-7,10823,3-ethylpyridine,CCC1=CN=CC=C1,"InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3",MFEIKQPHQINPRI-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.7,12.9,61,0,0,1,1,8,,166.00 °C. @ 762.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROPYRIDINE,000372-48-5,9746,2-fluoropyridine,C1=CC=NC(=C1)F,InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H,MTAODLNXWYIKSO-UHFFFAOYSA-N,C5H4FN,97.09,97.03277729,0.8,12.9,56,0,0,2,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PICOLINE-D7,093951-93-0,16212372,"2,3,4,5-tetradeuterio-6-(trideuteriomethyl)pyridine",[2H]C1=C(C(=NC(=C1[2H])C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3/i1D3,2D,3D,4D,5D",BSKHPKMHTQYZBB-AAYPNNLASA-N,C6H7N,100.17,100.1017864,1.1,12.9,52,0,0,1,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
2-FLUORO-4-METHYLPYRIDINE,000461-87-0,2737403,2-fluoro-4-methylpyridine,CC1=CC(=NC=C1)F,"InChI=1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3",ZBFAXMKJADVOGH-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.3,12.9,74,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-3-METHYLPYRIDINE,002369-18-8,242722,2-fluoro-3-methylpyridine,CC1=C(N=CC=C1)F,"InChI=1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3",PHGXUFPYCAWEHK-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.7,12.9,74,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDYL TRIFLUOROMETHANESULFONATE,065007-00-3,3947626,pyridin-2-yl trifluoromethanesulfonate,C1=CC=NC(=C1)OS(=O)(=O)C(F)(F)F,"InChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)13-5-3-1-2-4-10-5/h1-4H",COLRMVLTWJTLFJ-UHFFFAOYSA-N,C6H4F3NO3S,227.16,226.9863987,1.9,64.6,282,0,0,7,2,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-LUTIDINE",000108-47-4,7936,"2,4-dimethylpyridine",CC1=CC(=NC=C1)C,"InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",JYYNAJVZFGKDEQ-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.6,12.9,70,0,0,1,0,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIFLUOROPYRIDINE",001513-65-1,73934,"2,6-difluoropyridine",C1=CC(=NC(=C1)F)F,InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H,MBTGBRYMJKYYOE-UHFFFAOYSA-N,C5H3F2N,115.08,115.0233554,1.2,12.9,68,0,0,3,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYPYRIDINE,001628-89-3,74201,2-methoxypyridine,COC1=CC=CC=N1,"InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3",IWTFOFMTUOBLHG-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,1.4,22.1,65,0,0,2,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROPYRIDINE",002875-18-5,137749,"2,3,5,6-tetrafluoropyridine",C1=C(C(=NC(=C1F)F)F)F,InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H,HWIPMBCMGVXOKN-UHFFFAOYSA-N,C5HF4N,151.06,151.0045117,1.9,12.9,108,0,0,5,0,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"TRICLOPYR, TRIETHYLAMMONIUM SALT",057213-69-1,42163,"N,N-diethylethanamine;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid",CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl,"InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3",ROKVVMOXSZIDEG-UHFFFAOYSA-N,C13H19Cl3N2O3,357.7,356.046126,,62.7,242,0,1,5,6,21,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0
3-CHLOROPYRIDINE,000626-60-8,12287,3-chloropyridine,C1=CC(=CN=C1)Cl,InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H,PWRBCZZQRRPXAB-UHFFFAOYSA-N,C5H4ClN,113.54,113.0032268,1.3,12.9,56,0,0,1,0,7,66 °C (151 °F) - closed cup,151 °C,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-VINYLPYRIDINE,000100-43-6,7502,4-ethenylpyridine,C=CC1=CC=NC=C1,"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2",KFDVPJUYSDEJTH-UHFFFAOYSA-N,C7H7N,105.14,105.0578492,1.6,12.9,72,0,0,1,1,8,,65 °C @ 15 mm Hg,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"2,6-BIS(DI-TERT-BUTYLPHOSPHINOMETHYL)PYRIDINE",338800-13-8,11157260,ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane,CC(C)(C)P(CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C23H43NP2/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3",NJQAVBPPWNSBBC-UHFFFAOYSA-N,C23H43NP2,395.5,395.2870744,3.9,12.9,363,0,0,1,8,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(AMINOMETHYL)PYRIDINE,003731-52-0,31018,pyridin-3-ylmethanamine,C1=CC(=CN=C1)CN,"InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2",HDOUGSFASVGDCS-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.3,38.9,63,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROGEN FLUORIDE-PYRIDINE,032001-55-1,64774,pyridine;hydrofluoride,C1=CC=NC=C1.F,InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H,GRJJQCWNZGRKAU-UHFFFAOYSA-N,C5H6FN,99.11,99.04842736,,12.9,30,0,1,2,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOPYRIDINE,000462-08-8,10009,pyridin-3-amine,C1=CC(=CN=C1)N,"InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2",CUYKNJBYIJFRCU-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.1,38.9,54,0,1,2,0,7,190.4 °F,483.8 °F,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"3,4-DIAMINOPYRIDINE",000054-96-6,5918,"pyridine-3,4-diamine",C1=CN=CC(=C1N)N,"InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)",OYTKINVCDFNREN-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,-0.5,64.9,74,0,2,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMOPYRIDINE",000626-05-1,12274,"2,6-dibromopyridine",C1=CC(=NC(=C1)Br)Br,InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H,FEYDZHNIIMENOB-UHFFFAOYSA-N,C5H3Br2N,236.89,236.86117,2.9,12.9,68,0,0,1,0,8,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-CHLORO-3,5-DINITRO-",002578-45-2,75738,"2-chloro-3,5-dinitropyridine",C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-],InChI=1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,QLHVJBXAQWPEDI-UHFFFAOYSA-N,C5H2ClN3O4,203.54,202.9733832,1.5,105,225,0,0,5,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPYRIDINE,000504-24-5,1727,pyridin-4-amine,C1=CN=CC=C1N,"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",NUKYPUAOHBNCPY-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.3,38.9,48,0,1,2,0,7,"328 °F (USCG, 1999)","524.3 °F at 760 mmHg (EPA, 1998)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROPYRIFOS,002921-88-2,2730,"diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane",CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",SBPBAQFWLVIOKP-UHFFFAOYSA-N,C9H11Cl3NO3PS,350.6,348.926284,5.3,72.7,303,0,0,5,6,18,82 °F (CLOSED CUP) /DURSBAN 4E/,"320 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-DIMETHYLAMINOPYRIDINE,001122-58-3,14284,"N,N-dimethylpyridin-4-amine",CN(C)C1=CC=NC=C1,"InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3",VHYFNPMBLIVWCW-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.3,16.1,75,0,0,2,1,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ACETYLPYRIDINE,000350-03-8,9589,1-pyridin-3-ylethanone,CC(=O)C1=CN=CC=C1,"InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3",WEGYGNROSJDEIW-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.4,30,111,0,0,2,1,9,,228.00 to 230.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIAMINOPYRIDINE",000141-86-6,8861,"pyridine-2,6-diamine",C1=CC(=NC(=C1)N)N,"InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)",VHNQIURBCCNWDN-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,0.2,64.9,66,0,2,3,0,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-AMINO-3-HYDROXYPYRIDINE,016867-03-1,28114,2-aminopyridin-3-ol,C1=CC(=C(N=C1)N)O,"InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)",BMTSZVZQNMNPCT-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,0.1,59.1,76,0,2,3,0,8,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
2-AMINO-4-METHYLPYRIDINE,000695-34-1,1533,4-methylpyridin-2-amine,CC1=CC(=NC=C1)N,"InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)",ORLGLBZRQYOWNA-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.6,38.9,72,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
2-AMINO-3-METHYLPYRIDINE,001603-40-3,15347,3-methylpyridin-2-amine,CC1=C(N=CC=C1)N,"InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)",RGDQRXPEZUNWHX-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.9,38.9,72,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
2-AMINO-5-METHYLPYRIDINE,001603-41-4,15348,5-methylpyridin-2-amine,CC1=CN=C(C=C1)N,"InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)",CMBSSVKZOPZBKW-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,1,38.9,72,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORPYRIFOS OXON,005598-15-2,21804,"diethyl (3,5,6-trichloro-2-pyridinyl) phosphate",CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",OTMOUPHCTWPNSL-UHFFFAOYSA-N,C9H11Cl3NO4P,334.5,332.949128,3.5,57.7,300,0,0,5,6,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DICHLOROPYRIDINE",002402-78-0,16989,"2,6-dichloropyridine",C1=CC(=NC(=C1)Cl)Cl,InChI=1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H,FILKGCRCWDMBKA-UHFFFAOYSA-N,C5H3Cl2N,147.99,146.9642545,2.2,12.9,68,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-3-NITROPYRIDINE,005470-18-8,79613,2-chloro-3-nitropyridine,C1=CC(=C(N=C1)Cl)[N+](=O)[O-],InChI=1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,UUOLETYDNTVQDY-UHFFFAOYSA-N,C5H3ClN2O2,158.54,157.988305,1.6,58.7,136,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLNICOTINAMIDE",000059-26-7,5497,"N,N-diethylpyridine-3-carboxamide",CCN(CC)C(=O)C1=CN=CC=C1,"InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3",NCYVXEGFNDZQCU-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,0.3,33.2,166,0,0,2,3,13,"235 °F (NTP, 1992)","565 to 572 °F at 760 mmHg (some decomposition) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-PYRIDYLAMINE,001072-97-5,70622,5-bromopyridin-2-amine,C1=CC(=NC=C1Br)N,"InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)",WGOLHUGPTDEKCF-UHFFFAOYSA-N,C5H5BrN2,173.01,171.96361,1.2,38.9,76,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPYRIDINE -2-CARBONITRILE,055758-02-6,817694,3-bromopyridine-2-carbonitrile,C1=CC(=C(N=C1)C#N)Br,InChI=1S/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H,HCOPIUVJCIZALB-UHFFFAOYSA-N,C6H3BrN2,183.01,181.94796,1.6,36.7,137,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-PYRIDINEDIAMINE",000452-58-4,9956,"pyridine-2,3-diamine",C1=CC(=C(N=C1)N)N,"InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)",ZZYXNRREDYWPLN-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,-0.2,64.9,74,0,2,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOMETHYL-2-CHLOROPYRIDINE,097004-04-1,7020927,(6-chloro-3-pyridinyl)methanamine,C1=CC(=NC=C1CN)Cl,"InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2",XPARFBOWIYMLMY-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,0.7,38.9,87,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
5-AMINO-2-PYRIDINECARBONITRILE,055338-73-3,3871395,5-aminopyridine-2-carbonitrile,C1=CC(=NC=C1N)C#N,"InChI=1S/C6H5N3/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,8H2",IFOXWHQFTSCNQB-UHFFFAOYSA-N,C6H5N3,119.12,119.0483472,0.2,62.7,134,0,1,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-(HYDROXYMETHYL)PYRIDINE-2-CARBOXALDEHYDE,039621-11-9,12186384,6-(hydroxymethyl)pyridine-2-carbaldehyde,C1=CC(=NC(=C1)C=O)CO,"InChI=1S/C7H7NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-4,10H,5H2",USGRADVWEOYHGX-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,-0.2,50.2,116,0,1,3,2,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINEACETONITRILE,002739-97-1,75959,2-pyridin-2-ylacetonitrile,C1=CC=NC(=C1)CC#N,"InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2",UKVQBONVSSLJBB-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,0.6,36.7,122,0,0,2,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, 2-isopropylhydrazide, phosphate",000305-33-9,9367,phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide,CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O,"InChI=1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)",YPDVTKJXVHYWFY-UHFFFAOYSA-N,C9H16N3O5P,277.21,277.0827576,,132,214,0,5,7,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 3,5-DICHLORO-2,4,6-TRIFLUORO-",001737-93-5,61273,"3,5-dichloro-2,4,6-trifluoropyridine",C1(=C(C(=NC(=C1Cl)F)F)Cl)F,InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9,PKSORSNCSXBXOT-UHFFFAOYSA-N,C5Cl2F3N,201.96,200.9359889,3.1,12.9,134,0,0,4,0,11,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-PYRIDINAMINE, 6-METHYL-",001824-81-3,15765,6-methylpyridin-2-amine,CC1=NC(=CC=C1)N,"InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)",QUXLCYFNVNNRBE-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.4,38.9,72,0,1,2,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 4-[1-(2-BUTENYL)-3-PENTENYL]-",002057-34-3,74933,"4-nona-2,7-dien-5-ylpyridine",CC=CCC(CC=CC)C1=CC=NC=C1,"InChI=1S/C14H19N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h3-6,9-13H,7-8H2,1-2H3",ABNCIWHCOXTEEZ-UHFFFAOYSA-N,C14H19N,201.31,201.1517496,3.6,12.9,185,0,0,1,5,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-[1-(2-BUTENYL)-3-PENTENYL]-",002057-42-3,74934,"2-nona-2,7-dien-5-ylpyridine",CC=CCC(CC=CC)C1=CC=CC=N1,"InChI=1S/C14H19N/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15-14/h3-8,11-13H,9-10H2,1-2H3",XFZKOJSWZJWDEK-UHFFFAOYSA-N,C14H19N,201.31,201.1517496,3.6,12.9,191,0,0,1,5,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-(1-ETHYLPROPYL)-",007399-50-0,81887,2-pentan-3-ylpyridine,CCC(CC)C1=CC=CC=N1,"InChI=1S/C10H15N/c1-3-9(4-2)10-7-5-6-8-11-10/h5-9H,3-4H2,1-2H3",FTYAXYWEDPWJCJ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.7,12.9,97,0,0,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBONITRILE, 4-AMINO-3,5,6-TRICHLORO-",014143-60-3,84225,"4-amino-3,5,6-trichloropyridine-2-carbonitrile",C(#N)C1=C(C(=C(C(=N1)Cl)Cl)N)Cl,"InChI=1S/C6H2Cl3N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)",AZYYQVGBVUCIEO-UHFFFAOYSA-N,C6H2Cl3N3,222.5,220.93143,2.4,62.7,213,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBONITRILE, 3,4,5,6-TETRACHLORO-",017824-83-8,87323,"3,4,5,6-tetrachloropyridine-2-carbonitrile",C(#N)C1=C(C(=C(C(=N1)Cl)Cl)Cl)Cl,InChI=1S/C6Cl4N2/c7-3-2(1-11)12-6(10)5(9)4(3)8,KFPBGJYBKSQIAI-UHFFFAOYSA-N,C6Cl4N2,241.9,241.878609,3.7,36.7,213,0,0,2,0,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE (NNK),064091-91-4,47289,N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide,CN(CCCC(=O)C1=CN=CC=C1)N=O,"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3",FLAQQSHRLBFIEZ-UHFFFAOYSA-N,C10H13N3O2,207.23,207.1007767,0.8,62.6,221,0,0,5,5,15,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHLORINATED PYRIDINE (2,3,5,6-TETRACHLORO-4-PYRIDINAMINE)",002176-63-8,1556893,"2,3,5,6-tetrachloropyridin-4-amine",C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)N,"InChI=1S/C5H2Cl4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)",CPLQYBDXWJHBST-UHFFFAOYSA-N,C5H2Cl4N2,231.9,231.894259,3.3,38.9,130,0,1,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETAMIPRID,135410-20-7,213021,N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide,CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl,"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3",WCXDHFDTOYPNIE-UHFFFAOYSA-N,C10H11ClN4,222.67,222.0672241,1.4,52.3,280,0,0,3,3,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
3-AMINO-2-BROMOPYRIDINE,038956-58-1,642816,2-bromopyridin-3-amine,C1=CC(=C(N=C1)Br)N,"InChI=1S/C5H5BrN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2",HKDVVTLISGIPFE-UHFFFAOYSA-N,C5H5BrN2,173.01,171.96361,1.2,38.9,76,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPYRIDINE,000109-09-1,7977,2-chloropyridine,C1=CC=NC(=C1)Cl,InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H,OKDGRDCXVWSXDC-UHFFFAOYSA-N,C5H4ClN,113.54,113.0032268,1.2,12.9,56,0,0,1,0,7,68 °C (154 °F) - closed cup,170 °C,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"PYRIDINE, 2,3,5,6-TETRACHLORO-",002402-79-1,16990,"2,3,5,6-tetrachloropyridine",C1=C(C(=NC(=C1Cl)Cl)Cl)Cl,InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H,FATBKZJZAHWCSL-UHFFFAOYSA-N,C5HCl4N,216.9,216.88336,3.3,12.9,108,0,0,1,0,10,,250.5 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-AMINOPYRIDINE,000504-29-0,10439,pyridin-2-amine,C1=CC=NC(=C1)N,"InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)",ICSNLGPSRYBMBD-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.5,38.9,54,0,1,2,0,7,"198 °F (NTP, 1992)","399 to 410 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-PYRIDINEDICARBOXYLIC ACID",000089-00-9,1066,"pyridine-2,3-dicarboxylic acid",C1=CC(=C(N=C1)C(=O)O)C(=O)O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",GJAWHXHKYYXBSV-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,0.2,87.5,204,0,2,5,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CYANOPYRIDINE,000100-54-9,79,pyridine-3-carbonitrile,C1=CC(=CN=C1)C#N,"InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H",GZPHSAQLYPIAIN-UHFFFAOYSA-N,C6H4N2,104.11,104.0374481,0.2,36.7,111,0,0,2,0,8,87 °C,206.9 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PICOLYL CHLORIDE HYDROCHLORIDE,006959-48-4,23394,3-(chloromethyl)pyridine;hydrochloride,C1=CC(=CN=C1)CCl.Cl,"InChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H",UZGLOGCJCWBBIV-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,12.9,65,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PICOLINIC ACID,000098-98-6,1018,pyridine-2-carboxylic acid,C1=CC=NC(=C1)C(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)",SIOXPEMLGUPBBT-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,0.8,50.2,114,0,1,3,1,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SYN-PYRIDINE-2-ALDOXIME,002110-14-7,135564593,(NZ)-N-(pyridin-2-ylmethylidene)hydroxylamine,C1=CC=NC(=C1)/C=N\O,"InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5-",MTFJSAGADRTKCI-YVMONPNESA-N,C6H6N2O,122.12,122.0480128,0.7,45.5,103,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PICOLYL CHLORIDE HYDROCHLORIDE,006959-47-3,23392,2-(chloromethyl)pyridine;hydrochloride,C1=CC=NC(=C1)CCl.Cl,"InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H",JPMRGPPMXHGKRO-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,12.9,65,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3.5-DICHLOROPYRIDINE,002457-47-8,17153,"3,5-dichloropyridine",C1=C(C=NC=C1Cl)Cl,InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H,WPGHPGAUFIJVJF-UHFFFAOYSA-N,C5H3Cl2N,147.99,146.9642545,2.6,12.9,68,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-2-METHYLPYRIDINE,001121-78-4,14275,6-methylpyridin-3-ol,CC1=NC=C(C=C1)O,"InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",DHLUJPLHLZJUBW-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.8,33.1,74,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTACHLOROPYRIDINE,002176-62-7,16584,"2,3,4,5,6-pentachloropyridine",C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8,DNDPLEAVNVOOQZ-UHFFFAOYSA-N,C5Cl5N,251.3,250.844387,4.7,12.9,129,0,0,1,0,11,,280 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
4-PYRIDINEMETHANETHIOL HYDROCHLORIDE,006298-11-9,11446637,2-pyridin-4-ylethanethiol;hydrochloride,C1=CN=CC=C1CCS.Cl,"InChI=1S/C7H9NS.ClH/c9-6-3-7-1-4-8-5-2-7;/h1-2,4-5,9H,3,6H2;1H",AXSMNPPSEOLAGB-UHFFFAOYSA-N,C7H10ClNS,175.68,175.0222482,,13.9,69,0,2,2,2,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
2-PYRIDINEMETHANAMINE,003731-51-9,19509,pyridin-2-ylmethanamine,C1=CC=NC(=C1)CN,"InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2",WOXFMYVTSLAQMO-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.2,38.9,63,0,1,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFUR TRIOXIDE, COMPD. WITH PYRIDINE (1:1)",026412-87-3,168533,pyridine;sulfur trioxide,C1=CC=NC=C1.O=S(=O)=O,InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;,UDYFLDICVHJSOY-UHFFFAOYSA-N,C5H5NO3S,159.17,158.9990142,,65.1,92,0,0,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-PYRIDINEDICARBONITRILE",029181-50-8,120144,"pyridine-2,4-dicarbonitrile",C1=CN=C(C=C1C#N)C#N,InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H,HLAGQMFURMNTLW-UHFFFAOYSA-N,C7H3N3,129.12,129.0326971,0.6,60.5,203,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-(CHLOROMETHYL)PYRIDINIUM CHLORIDE,001822-51-1,74570,4-(chloromethyl)pyridine;hydrochloride,C1=CN=CC=C1CCl.Cl,"InChI=1S/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H",ZDHKVKPZQKYREU-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,12.9,59,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMO-5-IODOPYRIDINE,073290-22-9,4738271,2-bromo-5-iodopyridine,C1=CC(=NC=C1I)Br,InChI=1S/C5H3BrIN/c6-5-2-1-4(7)3-8-5/h1-3H,LLKRSJVPTKFSLS-UHFFFAOYSA-N,C5H3BrIN,283.89,282.84936,2.5,12.9,78,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-6-CHLOROPYRIDINE,005140-72-7,78820,2-bromo-6-chloropyridine,C1=CC(=NC(=C1)Br)Cl,InChI=1S/C5H3BrClN/c6-4-2-1-3-5(7)8-4/h1-3H,JWTZSVLLPKTZJP-UHFFFAOYSA-N,C5H3BrClN,192.44,190.91374,2.2,12.9,78,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-CHLOROPYRIDINE,073583-37-6,3847770,4-bromo-2-chloropyridine,C1=CN=C(C=C1Br)Cl,InChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H,ONHMWUXYIFULDO-UHFFFAOYSA-N,C5H3BrClN,192.44,190.91374,2.5,12.9,78,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-4-NITROPYRIDINE,013508-96-8,98849,2-methyl-4-nitropyridine,CC1=NC=CC(=C1)[N+](=O)[O-],"InChI=1S/C6H6N2O2/c1-5-4-6(8(9)10)2-3-7-5/h2-4H,1H3",HWPIDHRDNNZJSY-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0.9,58.7,132,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
6-METHOXY-3-NITROPYRIDIN-2-AMINE,073896-36-3,3852428,6-methoxy-3-nitropyridin-2-amine,COC1=NC(=C(C=C1)[N+](=O)[O-])N,"InChI=1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)",RDJILYVRVOTMTQ-UHFFFAOYSA-N,C6H7N3O3,169.14,169.0487411,1.2,94,170,0,1,5,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2-PYRIDINECARBONYL CHLORIDE, HYDROCHLORIDE",039901-94-5,135033,pyridine-2-carbonyl chloride;hydrochloride,C1=CC=NC(=C1)C(=O)Cl.Cl,InChI=1S/C6H4ClNO.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H;1H,VIPHVHVAGBKHGR-UHFFFAOYSA-N,C6H5Cl2NO,178.01,176.9748192,,30,116,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRICHLOROPYRIDINE",016063-69-7,27665,"2,4,6-trichloropyridine",C1=C(C=C(N=C1Cl)Cl)Cl,InChI=1S/C5H2Cl3N/c6-3-1-4(7)9-5(8)2-3/h1-2H,FJNNGKMAGDPVIU-UHFFFAOYSA-N,C5H2Cl3N,182.43,180.925282,2.7,12.9,88,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
6-METHOXY-2-PYRIDINECARBOXALDEHYDE,054221-96-4,12325392,6-methoxypyridine-2-carbaldehyde,COC1=CC=CC(=N1)C=O,"InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3",YDNWTNODZDSPNZ-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1,39.2,116,0,0,3,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
METHYL 6-(BROMOMETHYL)PICOLINATE,146462-25-1,21471714,methyl 6-(bromomethyl)pyridine-2-carboxylate,COC(=O)C1=CC=CC(=N1)CBr,"InChI=1S/C8H8BrNO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3",GLLACFRFEBEMED-UHFFFAOYSA-N,C8H8BrNO2,230.06,228.97384,1.6,39.2,163,0,0,3,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-5-IODOPYRIDINE,233770-01-9,820409,3-bromo-5-iodopyridine,C1=C(C=NC=C1I)Br,InChI=1S/C5H3BrIN/c6-4-1-5(7)3-8-2-4/h1-3H,AOOZLVWDZUPEHT-UHFFFAOYSA-N,C5H3BrIN,283.89,282.84936,2.2,12.9,78,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, SULFATE (1:1)",000543-54-4,164659,pyridine sulfate,C1=CC=NC=C1.[O-]S(=O)(=O)[O-],"InChI=1S/C5H5N.H2O4S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-5H;(H2,1,2,3,4)/p-2",ZNCXUFVDFVBRDO-UHFFFAOYSA-L,C5H5NO4S-2,175.16,174.9939288,,102,93,-2,0,5,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PYRIDINECARBOXYLIC ACID, 3,4,5,6-TETRACHLORO-",010469-09-7,82646,"3,4,5,6-tetrachloropyridine-2-carboxylic acid",C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)Cl,"InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)",GXFRQLQUKBSYQL-UHFFFAOYSA-N,C6HCl4NO2,260.9,260.873189,3.6,50.2,215,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,3-PYRIDINEDIAMINE, 5-BROMO-6-METHYL-",059352-90-8,101022,"5-bromo-6-methylpyridine-2,3-diamine",CC1=C(C=C(C(=N1)N)N)Br,"InChI=1S/C6H8BrN3/c1-3-4(7)2-5(8)6(9)10-3/h2H,8H2,1H3,(H2,9,10)",XFHAYQGHHKCVBA-UHFFFAOYSA-N,C6H8BrN3,202.05,200.99016,0.9,64.9,120,0,2,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-",065141-46-0,47528,2-(pyridine-3-carbonylamino)ethyl nitrate,C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-],"InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)",LBHIOVVIQHSOQN-UHFFFAOYSA-N,C8H9N3O4,211.17,211.0593058,0.8,97,228,0,1,5,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FUSARIC ACID,000536-69-6,3442,5-butylpyridine-2-carboxylic acid,CCCCC1=CN=C(C=C1)C(=O)O,"InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)",DGMPVYSXXIOGJY-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.6,50.2,170,0,1,3,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CYANOPYRIDINE,000100-48-1,7506,pyridine-4-carbonitrile,C1=CN=CC=C1C#N,InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H,GPHQHTOMRSGBNZ-UHFFFAOYSA-N,C6H4N2,104.11,104.0374481,0.5,36.7,105,0,0,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDOXAL, HYDROCHLORIDE",000065-22-5,6171,3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride,CC1=NC=C(C(=C1O)C=O)CO.Cl,"InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H",FCHXJFJNDJXENQ-UHFFFAOYSA-N,C8H10ClNO3,203.62,203.0349209,,70.4,162,0,3,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DI-TERT-BUTYL-4-METHYLPYRIDINE",038222-83-2,98898,"2,6-ditert-butyl-4-methylpyridine",CC1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3",HVHZEKKZMFRULH-UHFFFAOYSA-N,C14H23N,205.34,205.1830497,4.6,12.9,184,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIONICOTINAMIDE,004621-66-3,737155,pyridine-3-carbothioamide,C1=CC(=CN=C1)C(=S)N,"InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",XQWBMZWDJAZPPX-UHFFFAOYSA-N,C6H6N2S,138.19,138.0251694,0.7,71,114,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PYRIDINEALDOXIME,001193-92-6,5324568,(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine,C1=CC(=CN=C1)/C=N/O,"InChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+",YBKOPFQCLSPTPV-VMPITWQZSA-N,C6H6N2O,122.12,122.0480128,0.6,45.5,103,0,1,3,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINEALDOXIME,000696-54-8,135460230,(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine,C1=CN=CC=C1/C=N/O,"InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+",OFYLBLSSPQTTHT-VMPITWQZSA-N,C6H6N2O,122.12,122.0480128,0.8,45.5,97,0,1,3,1,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-PYRIDINYLDITHIO)ETHANAMINE HYDROCHLORIDE,106139-15-5,13985234,2-(pyridin-2-yldisulfanyl)ethanamine;hydrochloride,C1=CC=NC(=C1)SSCCN.Cl,"InChI=1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H",SEKLFMRSNLFPRB-UHFFFAOYSA-N,C7H11ClN2S2,222.8,222.0052184,,89.5,100,0,2,4,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-CHLOROPYRIDINE HYDROCHLORIDE,007379-35-3,81852,4-chloropyridine;hydrochloride,C1=CN=CC=C1Cl.Cl,InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H,XGAFCCUNHIMIRV-UHFFFAOYSA-N,C5H5Cl2N,150,148.9799046,,12.9,50,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CHLORO-2-PICOLINE,018368-63-3,87601,2-chloro-6-methylpyridine,CC1=NC(=CC=C1)Cl,"InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",GXZDYRYYNXYPMQ-UHFFFAOYSA-N,C6H6ClN,127.57,127.0188769,2.2,12.9,74,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CYANOPYRIDINE,000100-70-9,7522,pyridine-2-carbonitrile,C1=CC=NC(=C1)C#N,InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H,FFNVQNRYTPFDDP-UHFFFAOYSA-N,C6H4N2,104.11,104.0374481,0.4,36.7,111,0,0,2,0,8,,224.5 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-PYRIDINEDICARBONITRILE",002893-33-6,76164,"pyridine-2,6-dicarbonitrile",C1=CC(=NC(=C1)C#N)C#N,InChI=1S/C7H3N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,XNPMXMIWHVZGMJ-UHFFFAOYSA-N,C7H3N3,129.12,129.0326971,1,60.5,181,0,0,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(DIMETHYLAMINO)PYRIDINE,005683-33-0,21885,"N,N-dimethylpyridin-2-amine",CN(C)C1=CC=CC=N1,"InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3",PSHKMPUSSFXUIA-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.6,16.1,81,0,0,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-N-AMYLPYRIDINE,002294-76-0,16800,2-pentylpyridine,CCCCCC1=CC=CC=N1,"InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3",HSDXVAOHEOSTFZ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.9,12.9,90,0,0,1,4,11,,102.00 to 107.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-PYRIDYLCARBINOL,000586-95-8,11472,pyridin-4-ylmethanol,C1=CN=CC=C1CO,"InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2",PTMBWNZJOQBTBK-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.1,33.1,59,0,1,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISONICOTINIC HYDRAZIDE,000054-85-3,3767,pyridine-4-carbohydrazide,C1=CN=CC=C1C(=O)NN,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",QRXWMOHMRWLFEY-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,-0.7,68,120,0,2,3,1,10,"374 °F (NTP, 1992)",,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-PYRIDINEACETONITRILE,006443-85-2,80923,2-pyridin-3-ylacetonitrile,C1=CC(=CN=C1)CC#N,"InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2",OIPHWUPMXHQWLR-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,0.5,36.7,122,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-DESOXYPYRIDOXINE HYDROCHLORIDE,000148-51-6,67417,"5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;hydrochloride",CC1=C(C(=NC=C1CO)C)O.Cl,"InChI=1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H",QZKKOQQIVLXUEI-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,53.4,129,0,3,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-5-METHYLPYRIDINE,018368-64-4,581393,2-chloro-5-methylpyridine,CC1=CN=C(C=C1)Cl,"InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3",VXLYOURCUVQYLN-UHFFFAOYSA-N,C6H6ClN,127.57,127.0188769,2.3,12.9,74,0,0,1,0,8,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOPYRIDINIUM CHLORIDE,019524-06-2,88100,4-bromopyridine;hydrochloride,C1=CN=CC=C1Br.Cl,InChI=1S/C5H4BrN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H,MPZMVUQGXAOJIK-UHFFFAOYSA-N,C5H5BrClN,194.46,192.92939,,12.9,50,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINYLBORONIC ACID,001692-15-5,2734379,pyridin-4-ylboronic acid,B(C1=CC=NC=C1)(O)O,"InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H",QLULGIRFKAWHOJ-UHFFFAOYSA-N,C5H6BNO2,122.92,123.0491586,,53.4,83,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PYRIDINYLBORONIC ACID,001692-25-7,2734378,pyridin-3-ylboronic acid,B(C1=CN=CC=C1)(O)O,"InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H",ABMYEXAYWZJVOV-UHFFFAOYSA-N,C5H6BNO2,122.92,123.0491586,,53.4,89,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPYRIDIN-3-AMINE,013269-19-7,83281,2-nitropyridin-3-amine,C1=CC(=C(N=C1)[N+](=O)[O-])N,"InChI=1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2",GZBKVUGZEAJYHH-UHFFFAOYSA-N,C5H5N3O2,139.11,139.0381764,0.9,84.7,133,0,1,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOSONICOTINIC ACID,013362-28-2,278396,2-aminopyridine-4-carboxylic acid,C1=CN=C(C=C1C(=O)O)N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)",QMKZZQPPJRWDED-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0,76.2,138,0,2,4,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLPYRIDINE-2-CARBOXALDEHYDE,067141-19-9,18799600,4-ethylpyridine-2-carbaldehyde,CCC1=CC(=NC=C1)C=O,"InChI=1S/C8H9NO/c1-2-7-3-4-9-8(5-7)6-10/h3-6H,2H2,1H3",PJTWJHFVBSRCMW-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.4,30,114,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLPYRIDINE-2-CARBOXALDEHYDE,053547-60-7,10011894,4-methylpyridine-2-carbaldehyde,CC1=CC(=NC=C1)C=O,"InChI=1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3",UAKMHSRHDUBNJR-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.7,30,103,0,0,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(N-BOC-AMINO)-5-BROMOPYRIDINE,159451-66-8,16217843,tert-butyl N-(5-bromo-2-pyridinyl)carbamate,CC(C)(C)OC(=O)NC1=NC=C(C=C1)Br,"InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)",CKXAMCSVTNPSCZ-UHFFFAOYSA-N,C10H13BrN2O2,273.13,272.01604,2.4,51.2,228,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-BROMO-6-METHYLPYRIDINE,005315-25-3,79205,2-bromo-6-methylpyridine,CC1=NC(=CC=C1)Br,"InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",SOHDPICLICFSOP-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,1.8,12.9,74,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-2-CHLOROPYRIDINE,052200-48-3,693324,3-bromo-2-chloropyridine,C1=CC(=C(N=C1)Cl)Br,InChI=1S/C5H3BrClN/c6-4-2-1-3-8-5(4)7/h1-3H,HDYNIWBNWMFBDO-UHFFFAOYSA-N,C5H3BrClN,192.44,190.91374,2.2,12.9,78,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPYRIDIN-4-AMINE,014432-12-3,84432,2-chloropyridin-4-amine,C1=CN=C(C=C1N)Cl,"InChI=1S/C5H5ClN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)",BLBDTBCGPHPIJK-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,1.1,38.9,76,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-4-METHYLPYRIDINE,004926-28-7,2734087,2-bromo-4-methylpyridine,CC1=CC(=NC=C1)Br,"InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3",LSZMVESSGLHDJE-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,1.9,12.9,74,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-METHYLPYRIDINE-2-METHANOL,018728-61-5,86784,1-pyridin-2-ylethanol,CC(C1=CC=CC=N1)O,"InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3",PPHIIIRFJKDTLG-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.2,33.1,85,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPYRIDIN-2-AMINE,013534-99-1,817700,3-bromopyridin-2-amine,C1=CC(=C(N=C1)N)Br,"InChI=1S/C5H5BrN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)",RBCARPJOEUEZLS-UHFFFAOYSA-N,C5H5BrN2,173.01,171.96361,1.2,38.9,76,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-5-CHLOROPYRIDINE,001072-98-6,66174,5-chloropyridin-2-amine,C1=CC(=NC=C1Cl)N,"InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)",MAXBVGJEFDMHNV-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,1.1,38.9,76,0,1,2,0,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-HYDROXYPYRIDINE,055717-45-8,2762865,6-bromopyridin-3-ol,C1=CC(=NC=C1O)Br,"InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H",PTEFNEALEPSHLC-UHFFFAOYSA-N,C5H4BrNO,174,172.94763,1.5,33.1,78,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIFLUOROPYRIDINE-4-CARBOXYLIC ACID",851386-31-7,11240637,"2,3-difluoropyridine-4-carboxylic acid",C1=CN=C(C(=C1C(=O)O)F)F,"InChI=1S/C6H3F2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)",FFGHMEKFPCGYEG-UHFFFAOYSA-N,C6H3F2NO2,159.09,159.0131847,0.9,50.2,165,0,1,5,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CHLOROICOLINALDEHYDE,063071-13-6,2763166,4-chloropyridine-2-carbaldehyde,C1=CN=C(C=C1Cl)C=O,InChI=1S/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H,NZLNQSUMFSPISS-UHFFFAOYSA-N,C6H4ClNO,141.55,140.9981414,1.3,30,107,0,0,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUORO-2-FORMYLPYRIDINE,031224-43-8,11344017,3-fluoropyridine-2-carbaldehyde,C1=CC(=C(N=C1)C=O)F,InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H,OZIMPUNGBUYCSP-UHFFFAOYSA-N,C6H4FNO,125.1,125.0276919,0.7,30,107,0,0,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 6-FORMYL-2-PYRIDINECARBOXYLATE,069950-65-8,12575850,methyl 6-formylpyridine-2-carboxylate,COC(=O)C1=CC=CC(=N1)C=O,"InChI=1S/C8H7NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-5H,1H3",CERBENZCBVYKEF-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,0.8,56.3,181,0,0,4,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYPYRIDINE-2-CARBALDEHYDE,031191-08-9,278389,5-hydroxypyridine-2-carbaldehyde,C1=CC(=NC=C1O)C=O,"InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)3-7-5/h1-4,9H",HSODMUBHOXGNNQ-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,0.3,50.2,105,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-BIS(BROMOMETHYL)PYRIDINE",007703-74-4,603610,"2,6-bis(bromomethyl)pyridine",C1=CC(=NC(=C1)CBr)CBr,"InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2",QUTSYCOAZVHGGT-UHFFFAOYSA-N,C7H7Br2N,264.94,264.89247,2,12.9,87,0,0,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-(ETHYLAMINO)PYRIDINE-3-CARBONITRILE,1016813-34-5,24701445,6-(ethylamino)pyridine-3-carbonitrile,CCNC1=NC=C(C=C1)C#N,"InChI=1S/C8H9N3/c1-2-10-8-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)",MVJDUNKELBBNKM-UHFFFAOYSA-N,C8H9N3,147.18,147.0796473,1.3,48.7,158,0,1,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYPYRIDIN-3-AMINE,020265-38-7,2737488,2-methoxypyridin-3-amine,COC1=C(C=CC=N1)N,"InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3",YXFAOWYMDGUFIQ-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,0.5,48.1,87,0,1,3,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLPYRIDINE-2-CARBOXALDEHYDE,055589-47-4,1501874,3-methylpyridine-2-carbaldehyde,CC1=C(N=CC=C1)C=O,"InChI=1S/C7H7NO/c1-6-3-2-4-8-7(6)5-9/h2-5H,1H3",JDYVLWWFVYNMTN-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,1,30,103,0,0,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 6-BROMOPYRIDINE-2-CARBOXYLATE,021190-88-5,2758810,ethyl 6-bromopyridine-2-carboxylate,CCOC(=O)C1=NC(=CC=C1)Br,"InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3",OONBOXSIWCBAHZ-UHFFFAOYSA-N,C8H8BrNO2,230.06,228.97384,2.4,39.2,163,0,0,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-NITROPYRIDINE-2-CARBALDEHYDE,035969-75-6,15145501,5-nitropyridine-2-carbaldehyde,C1=CC(=NC=C1[N+](=O)[O-])C=O,InChI=1S/C6H4N2O3/c9-4-5-1-2-6(3-7-5)8(10)11/h1-4H,NBHKYBWIGBFSRE-UHFFFAOYSA-N,C6H4N2O3,152.11,152.022192,1,75.8,166,0,0,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOPYRIDINE-2-CARBOXYLIC ACID,024242-20-4,4179726,5-aminopyridine-2-carboxylic acid,C1=CC(=NC=C1N)C(=O)O,"InChI=1S/C6H6N2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,7H2,(H,9,10)",WDJARUKOMOGTHA-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0,76.2,138,0,2,4,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINOPYRIDINE-2-CARBOXYLIC ACID,023628-31-1,351652,6-aminopyridine-2-carboxylic acid,C1=CC(=NC(=C1)N)C(=O)O,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)",NMCKJFCJIHCHIS-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0.4,76.2,138,0,2,4,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPYRIDINE-2-CARBOXYLIC ACID,100047-36-7,2050132,4-aminopyridine-2-carboxylic acid,C1=CN=C(C=C1N)C(=O)O,"InChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)",JRZBTJVSAANBEV-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0,76.2,138,0,2,4,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-FLUORO-2-FORMYLPYRIDINE,031181-88-1,10351697,5-fluoropyridine-2-carbaldehyde,C1=CC(=NC=C1F)C=O,InChI=1S/C6H4FNO/c7-5-1-2-6(4-9)8-3-5/h1-4H,IACCXWQKIQUVFQ-UHFFFAOYSA-N,C6H4FNO,125.1,125.0276919,0.7,30,107,0,0,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HYDROXY-2-PYRIDINECARBOXAMIDE,031888-72-9,147399,N-hydroxypyridine-2-carboxamide,C1=CC=NC(=C1)C(=O)NO,"InChI=1S/C6H6N2O2/c9-6(8-10)5-3-1-2-4-7-5/h1-4,10H,(H,8,9)",AWJLBFXUZYCIIH-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.6,62.2,127,0,2,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINESULFONYLACETONITRILE,170449-34-0,519355,2-pyridin-2-ylsulfonylacetonitrile,C1=CC=NC(=C1)S(=O)(=O)CC#N,"InChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2",SAKACXZDAJXBCI-UHFFFAOYSA-N,C7H6N2O2S,182.2,182.0149986,0.2,79.2,282,0,0,4,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DIBROMOPYRIDINE",000625-92-3,69369,"3,5-dibromopyridine",C1=C(C=NC=C1Br)Br,InChI=1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H,SOSPMXMEOFGPIM-UHFFFAOYSA-N,C5H3Br2N,236.89,236.86117,2.2,12.9,68,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-FORMYLPYRIDINE-3-CARBONITRILE,206201-64-1,21364144,6-formylpyridine-3-carbonitrile,C1=CC(=NC=C1C#N)C=O,"InChI=1S/C7H4N2O/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4-5H",DMDMMMFMXWZSLM-UHFFFAOYSA-N,C7H4N2O,132.12,132.0323628,0.4,53.8,170,0,0,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-FORMYLPYRIDINE-2-CARBONITRILE,085148-95-4,2748338,6-formylpyridine-2-carbonitrile,C1=CC(=NC(=C1)C#N)C=O,"InChI=1S/C7H4N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,5H",ZRXBMWPJUPMZCZ-UHFFFAOYSA-N,C7H4N2O,132.12,132.0323628,0.7,53.8,170,0,0,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, 2-isopropylhydrazide",000054-92-2,3748,N'-propan-2-ylpyridine-4-carbohydrazide,CC(C)NNC(=O)C1=CC=NC=C1,"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)",NYMGNSNKLVNMIA-UHFFFAOYSA-N,C9H13N3O,179.22,179.105862,0.4,54,164,0,2,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 3-ETHYL-4-METHYL-",000529-21-5,68254,3-ethyl-4-methylpyridine,CCC1=C(C=CN=C1)C,"InChI=1S/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2H3",JDQNYWYMNFRKNQ-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,12.9,80,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHIONAMIDE,000536-33-4,2761171,2-ethylpyridine-4-carbothioamide,CCC1=NC=CC(=C1)C(=S)N,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",AEOCXXJPGCBFJA-UHFFFAOYSA-N,C8H10N2S,166.25,166.0564695,1.1,71,147,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"PYRIDINE, 3,5-DICHLORO-2-(TRICHLOROMETHYL)-",001128-16-1,14317,"3,5-dichloro-2-(trichloromethyl)pyridine",C1=C(C=NC(=C1Cl)C(Cl)(Cl)Cl)Cl,"InChI=1S/C6H2Cl5N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H",PWVHFDAKFGGYKJ-UHFFFAOYSA-N,C6H2Cl5N,265.3,264.860037,3.8,12.9,157,0,0,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2,3,4,5-TETRACHLORO-6-(TRICHLOROMETHYL)-",001134-04-9,70811,"2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine",C1(=C(C(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9",YMBFWRZKTZICHS-UHFFFAOYSA-N,C6Cl7N,334.2,332.782093,5.4,12.9,205,0,0,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 3,4,5-TRICHLORO-2-(TRICHLOROMETHYL)-",001201-30-5,70990,"3,4,5-trichloro-2-(trichloromethyl)pyridine",C1=C(C(=C(C(=N1)C(Cl)(Cl)Cl)Cl)Cl)Cl,"InChI=1S/C6HCl6N/c7-2-1-13-5(6(10,11)12)4(9)3(2)8/h1H",YWSFDYUMEBEQNZ-UHFFFAOYSA-N,C6HCl6N,299.8,298.821065,4.4,12.9,180,0,0,1,0,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 3,6-DICHLORO-2-(TRICHLOROMETHYL)-",001817-13-6,74554,"3,6-dichloro-2-(trichloromethyl)pyridine",C1=CC(=NC(=C1Cl)C(Cl)(Cl)Cl)Cl,"InChI=1S/C6H2Cl5N/c7-3-1-2-4(8)12-5(3)6(9,10)11/h1-2H",MWFCRQNUHFSUNY-UHFFFAOYSA-N,C6H2Cl5N,265.3,264.860037,4.1,12.9,157,0,0,1,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
4-PYRIDINECARBOTHIOAMIDE,002196-13-6,2723788,pyridine-4-carbothioamide,C1=CN=CC=C1C(=S)N,"InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)",KPIIGXWUNXGGCP-UHFFFAOYSA-N,C6H6N2S,138.19,138.0251694,0.3,71,108,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-(1-METHYLHYDRAZINO)-",004231-74-7,77911,1-methyl-1-pyridin-2-ylhydrazine,CN(C1=CC=CC=N1)N,"InChI=1S/C6H9N3/c1-9(7)6-4-2-3-5-8-6/h2-5H,7H2,1H3",QLNFKVFUZHBVHT-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,0.9,42.2,84,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, 4,6-DIMETHYL-",005407-87-4,21507,"4,6-dimethylpyridin-2-amine",CC1=CC(=NC(=C1)N)C,"InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)",BRBUBVKGJRPRRD-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.3,38.9,92,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(2-PYRIDINYLMETHYL)AMINO]-",006636-71-1,81135,2-(pyridin-2-ylmethylamino)ethanol,C1=CC=NC(=C1)CNCCO,"InChI=1S/C8H12N2O/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2",VLMNYMSCQPXJDR-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,-0.4,45.2,98,0,2,3,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA.-(DINONYLPHENYL)-.OMEGA.-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)",009014-93-1,5214209,4-methoxypyridine-2-carboxamide,COC1=CC(=NC=C1)C(=O)N,"InChI=1S/C7H8N2O2/c1-11-5-2-3-9-6(4-5)7(8)10/h2-4H,1H3,(H2,8,10)",DYHMIVKBJSIOCH-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0,65.2,149,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 2,3,5,6-TETRACHLORO-4-(METHYLSULFONYL)-",013108-52-6,61579,"2,3,5,6-tetrachloro-4-methylsulfonylpyridine",CS(=O)(=O)C1=C(C(=NC(=C1Cl)Cl)Cl)Cl,"InChI=1S/C6H3Cl4NO2S/c1-14(12,13)4-2(7)5(9)11-6(10)3(4)8/h1H3",NMCCNOZOBBWFMN-UHFFFAOYSA-N,C6H3Cl4NO2S,295,294.86091,3.3,55.4,289,0,0,3,1,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"PYRIDINE, HYDROBROMIDE",018820-82-1,87810,pyridine;hydrobromide,C1=CC=NC=C1.Br,InChI=1S/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H,BBFCIBZLAVOLCF-UHFFFAOYSA-N,C5H6BrN,160.01,158.96836,,12.9,30,0,1,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, 5-IODO-",020511-12-0,88579,5-iodopyridin-2-amine,C1=CC(=NC=C1I)N,"InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)",IVILGUFRMDBUEQ-UHFFFAOYSA-N,C5H5IN2,220.01,219.94975,1.3,38.9,76,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINEACETIC ACID,028356-58-3,34228,2-pyridin-4-ylacetic acid,C1=CN=CC=C1CC(=O)O,"InChI=1S/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)",PAEXAIBDCHBNDC-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0,50.2,119,0,1,3,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-[(3-PYRIDINYLMETHYL)AMINO]-",033611-48-2,118510,3-(pyridin-3-ylmethylamino)propanenitrile,C1=CC(=CN=C1)CNCCC#N,"InChI=1S/C9H11N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,6,8H2",QLXCYILNQJKHLM-UHFFFAOYSA-N,C9H11N3,161.2,161.0952974,0.1,48.7,158,0,1,3,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-",036357-38-7,95292,1-(6-methyl-3-pyridinyl)ethanone,CC1=NC=C(C=C1)C(=O)C,"InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3",PVRYOKQFLBSILA-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.9,30,133,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIDINONE, 3,5,6-TRICHLORO-, SODIUM SALT",037439-34-2,23662263,"sodium 3,5,6-trichloropyridin-2-olate",C1=C(C(=NC(=C1Cl)Cl)[O-])Cl.[Na+],"InChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1",JAWYJCBOOSFRKD-UHFFFAOYSA-M,C5HCl3NNaO,220.41,218.902141,,36,128,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 2,3-DICHLORO-6-(TRICHLOROMETHYL)-",051492-01-4,3084986,"2,3-dichloro-6-(trichloromethyl)pyridine",C1=CC(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C6H2Cl5N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H",ZHNXVFQAGRDLBV-UHFFFAOYSA-N,C6H2Cl5N,265.3,264.860037,4.1,12.9,157,0,0,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINEPROPANOIC ACID, .BETA.-OXO-, METHYL ESTER",054950-20-8,108645,methyl 3-oxo-3-pyridin-3-ylpropanoate,COC(=O)CC(=O)C1=CN=CC=C1,"InChI=1S/C9H9NO3/c1-13-9(12)5-8(11)7-3-2-4-10-6-7/h2-4,6H,5H2,1H3",JUQKVXRLRKKRPL-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,0.5,56.3,203,0,0,4,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHLORINATED PYRIDINE (3,4,5,6-TETRACHLORO-2-PYRIDINAMINE)",051501-52-1,186651,"3,4,5,6-tetrachloropyridin-2-amine",C1(=C(C(=NC(=C1Cl)Cl)N)Cl)Cl,"InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)",UNFHNOMCUBAGRI-UHFFFAOYSA-N,C5H2Cl4N2,231.9,231.894259,3.3,38.9,144,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRICLOPYR-BUTOTYL,064700-56-7,47455,"2-butoxyethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate",CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3",IVDRCZNHVGQBHZ-UHFFFAOYSA-N,C13H16Cl3NO4,356.6,355.014491,4.4,57.7,309,0,0,5,10,21,,370 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,0
6-CHLORONICOTINOTRILE,033252-28-7,5152094,6-chloropyridine-3-carbonitrile,C1=CC(=NC=C1C#N)Cl,"InChI=1S/C6H3ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H",ORIQLMBUPMABDV-UHFFFAOYSA-N,C6H3ClN2,138.55,137.9984758,1.5,36.7,137,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIDINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE,051285-26-8,12403615,pyridine-2-carboximidamide;hydrochloride,C1=CC=NC(=C1)C(=N)N.Cl,"InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H",GMHCEDDZKAYPLB-UHFFFAOYSA-N,C6H8ClN3,157.6,157.040675,,62.8,111,0,3,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBOXIMIDIC ACID, HYDRAZIDE",001005-02-3,5464234,N'-aminopyridine-2-carboximidamide,C1=CC=NC(=C1)/C(=N/N)/N,"InChI=1S/C6H8N4/c7-6(10-8)5-3-1-2-4-9-5/h1-4H,8H2,(H2,7,10)",DKTIHEQAQFSEAB-UHFFFAOYSA-N,C6H8N4,136.15,136.0748963,0.1,77.3,132,0,2,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETYL CHLORIDE, (4-PYRIDINYLTHIO)-, HYDROCHLORIDE",027230-51-9,117953,2-pyridin-4-ylsulfanylacetyl chloride;hydrochloride,C1=CN=CC=C1SCC(=O)Cl.Cl,"InChI=1S/C7H6ClNOS.ClH/c8-7(10)5-11-6-1-3-9-4-2-6;/h1-4H,5H2;1H",ONINFWNBKWMUCA-UHFFFAOYSA-N,C7H7Cl2NOS,224.11,222.9625404,,55.3,136,0,1,3,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PYRIDINE HYDROCHLORIDE,000628-13-7,10176127,pyridine;hydrochloride,C1=CC=NC=C1.Cl,InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H,AOJFQRQNPXYVLM-UHFFFAOYSA-N,C5H6ClN,115.56,115.0188769,,12.9,30,0,1,1,0,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-ETHYL-2-METHYLPYRIDINE,000104-90-5,7728,5-ethyl-2-methylpyridine,CCC1=CN=C(C=C1)C,"InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3",NTSLROIKFLNUIJ-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,12.9,80,0,0,1,1,9,"155 °F (USCG, 1999)","352 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"CHLORO-6-(TRICHLOROMETHYL) PYRIDINE, 2-  (RESPIRABLE FRACTION)",001929-82-4,16004,2-chloro-6-(trichloromethyl)pyridine,C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl,"InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H",DCUJJWWUNKIJPH-UHFFFAOYSA-N,C6H3Cl4N,230.9,230.89901,3.4,12.9,133,0,0,1,0,11,100 °C c.c.,"277 to 280 °F at 11 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (3,5,6-trichloro-2-pyridyloxy)-",055335-06-3,41428,"2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid",C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl,"InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)",REEQLXCGVXDJSQ-UHFFFAOYSA-N,C7H4Cl3NO3,256.5,254.925676,3,59.4,216,0,1,4,3,14,,290 °C /decomposes/,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
2-(2-AMINOETHYL)PYRIDINE,002706-56-1,75919,2-pyridin-2-ylethanamine,C1=CC=NC(=C1)CCN,"InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2",XPQIPUZPSLAZDV-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.1,38.9,73,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PYRIDINESULFONIC ACID,000636-73-7,69468,pyridine-3-sulfonic acid,C1=CC(=CN=C1)S(=O)(=O)O,"InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)",DVECLMOWYVDJRM-UHFFFAOYSA-N,C5H5NO3S,159.17,158.9990142,-0.4,75.6,193,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPICOLINIC ACID,000499-83-2,10367,"pyridine-2,6-dicarboxylic acid",C1=CC(=NC(=C1)C(=O)O)C(=O)O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",WJJMNDUMQPNECX-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,0.6,87.5,184,0,2,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINEETHANAMINE,013258-63-4,83275,2-pyridin-4-ylethanamine,C1=CN=CC=C1CCN,"InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2",IDLHTECVNDEOIY-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0,38.9,67,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINECARBOXALDEHYDE,000872-85-5,13389,pyridine-4-carbaldehyde,C1=CN=CC=C1C=O,InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H,BGUWFUQJCDRPTL-UHFFFAOYSA-N,C6H5NO,107.11,107.0371138,0.4,30,76,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
NICOTINOYL CHLORIDE HYDROCHLORIDE,020260-53-1,88438,pyridine-3-carbonyl chloride;hydrochloride,C1=CC(=CN=C1)C(=O)Cl.Cl,InChI=1S/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H,MSYBLBLAMDYKKZ-UHFFFAOYSA-N,C6H5Cl2NO,178.01,176.9748192,,30,116,0,1,2,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-PYRIDINEDICARBONYL DICHLORIDE",003739-94-4,77335,"pyridine-2,6-dicarbonyl chloride",C1=CC(=NC(=C1)C(=O)Cl)C(=O)Cl,InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,GWHOGODUVLQCEB-UHFFFAOYSA-N,C7H3Cl2NO2,204.01,202.9540837,2.5,47,188,0,0,3,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(AMINOMETHYL) PYRIDINE,003731-53-1,77317,pyridin-4-ylmethanamine,C1=CN=CC=C1CN,"InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2",TXQWFIVRZNOPCK-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.4,38.9,57,0,1,2,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(BROMOMETHYL)PYRIDINE HYDROBROMIDE,031106-82-8,2734720,2-(bromomethyl)pyridine;hydrobromide,C1=CC=NC(=C1)CBr.Br,"InChI=1S/C6H6BrN.BrH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H",JQDNCGRNPYKRAO-UHFFFAOYSA-N,C6H7Br2N,252.93,252.89247,,12.9,65,0,1,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-PYRIDYL ISOTHIOCYANATE,017452-27-6,2737242,3-isothiocyanatopyridine,C1=CC(=CN=C1)N=C=S,InChI=1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H,VMSZFBSYWXMXRF-UHFFFAOYSA-N,C6H4N2S,136.18,136.0095193,2.3,57.3,129,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-(2-AMINOETHYL)PYRIDINE,020173-24-4,854051,2-pyridin-3-ylethanamine,C1=CC(=CN=C1)CCN,"InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2",NAHHNSMHYCLMON-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,-0.1,38.9,73,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINESULFONIC ACID,015103-48-7,94849,pyridine-2-sulfonic acid,C1=CC=NC(=C1)S(=O)(=O)O,"InChI=1S/C5H5NO3S/c7-10(8,9)5-3-1-2-4-6-5/h1-4H,(H,7,8,9)",KZVLNAGYSAKYMG-UHFFFAOYSA-N,C5H5NO3S,159.17,158.9990142,-0.1,75.6,193,0,1,4,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 6-(CHLOROMETHYL)PYRIDINE-2-CARBOXYLATE,220040-48-2,53404482,methyl 6-(chloromethyl)pyridine-2-carboxylate,COC(=O)C1=CC=CC(=N1)CCl,"InChI=1S/C8H8ClNO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3",GJPCYWXDNLDHAT-UHFFFAOYSA-N,C8H8ClNO2,185.61,185.0243562,1.5,39.2,163,0,0,3,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
4-(BROMOMETHYL)PYRIDINE HYDROBROMIDE,073870-24-3,12752219,4-(bromomethyl)pyridine;hydrobromide,C1=CN=CC=C1CBr.Br,"InChI=1S/C6H6BrN.BrH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H",VAJUUDUWDNCECT-UHFFFAOYSA-N,C6H7Br2N,252.93,252.89247,,12.9,59,0,1,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-PYRIDINEETHANESULFONIC ACID,053054-76-5,96722,2-pyridin-4-ylethanesulfonic acid,C1=CN=CC=C1CCS(=O)(=O)O,"InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)",RGIIAYDCZSXHGL-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0,75.6,213,0,1,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINEETHANESULFONIC ACID,068922-18-9,96724,2-pyridin-2-ylethanesulfonic acid,C1=CC=NC(=C1)CCS(=O)(=O)O,"InChI=1S/C7H9NO3S/c9-12(10,11)6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10,11)",VRBVUAYEXFCDPE-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,-0.3,75.6,219,0,1,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-PYRIDINEDIMETHANOL",001195-59-1,70957,[6-(hydroxymethyl)-2-pyridinyl]methanol,C1=CC(=NC(=C1)CO)CO,"InChI=1S/C7H9NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,9-10H,4-5H2",WWFMINHWJYHXHF-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,-0.8,53.4,87,0,2,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PROPYLPYRIDINE,001122-81-2,70738,4-propylpyridine,CCCC1=CC=NC=C1,"InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3",JAWZAONCXMJLFT-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.1,12.9,65,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL 2,6-PYRIDINEDICARBOXYLATE",005453-67-8,79549,"dimethyl pyridine-2,6-dicarboxylate",COC(=O)C1=NC(=CC=C1)C(=O)OC,"InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3",SNQQJEJPJMXYTR-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,1.2,65.5,207,0,0,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINYL-BORONIC ACID,197958-29-5,2762745,pyridin-2-ylboronic acid,B(C1=CC=CC=N1)(O)O,"InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H",UMLDUMMLRZFROX-UHFFFAOYSA-N,C5H6BNO2,122.92,123.0491586,,53.4,89,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-PYRIDINEDICARBOXYLIC ACID, DIMETHYL ESTER",000605-38-9,69058,"dimethyl pyridine-2,3-dicarboxylate",COC(=O)C1=C(N=CC=C1)C(=O)OC,"InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3",YLGIBCYHQZTFQL-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.9,65.5,229,0,0,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 6-BROMOPICOLINATE(METHYL 6-BROMOPICOLINATE),026218-75-7,16217886,methyl 6-bromopyridine-2-carboxylate,COC(=O)C1=NC(=CC=C1)Br,"InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3",SGNCOKUHMXLGAH-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,2.1,39.2,151,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VITAMIN B3,000098-92-0,936,pyridine-3-carboxamide,C1=CC(=CN=C1)C(=O)N,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,-0.4,56,114,0,1,2,1,9,182 °C,"302 to 320 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISONICOTINIC ACID,000055-22-1,5922,pyridine-4-carboxylic acid,C1=CN=CC=C1C(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)",TWBYWOBDOCUKOW-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,0.4,50.2,108,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLPYRIDINE,001122-54-9,14282,1-pyridin-4-ylethanone,CC(=O)C1=CC=NC=C1,"InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3",WMQUKDQWMMOHSA-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.5,30,105,0,0,2,1,9,"greater than 200 °F (NTP, 1992)","414 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLPYRIDINE,003978-81-2,19878,4-tert-butylpyridine,CC(C)(C)C1=CC=NC=C1,"InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3",YSHMQTRICHYLGF-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12.9,95,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BUTYLPYRIDINE,000539-32-2,10874,3-butylpyridine,CCCCC1=CN=CC=C1,"InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3",QSNMFWFDOFQASV-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12.9,80,0,0,1,3,10,,80.00 to 81.00 °C. @ 8.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(1-BUTYLPENTYL)PYRIDINE,002961-47-9,76296,4-nonan-5-ylpyridine,CCCCC(CCCC)C1=CC=NC=C1,"InChI=1S/C14H23N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h9-13H,3-8H2,1-2H3",ATCGHKBXRIOBDX-UHFFFAOYSA-N,C14H23N,205.34,205.1830497,5.2,12.9,130,0,0,1,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PYRIDOXAMINE DIHYDROCHLORIDE,000524-36-7,10664,4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride,CC1=NC=C(C(=C1O)CN)CO.Cl.Cl,"InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H",HNWCOANXZNKMLR-UHFFFAOYSA-N,C8H14Cl2N2O2,241.11,240.0432331,,79.4,143,0,5,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPYRIDINE,000109-00-2,7971,pyridin-3-ol,C1=CC(=CN=C1)O,"InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H",GRFNBEZIAWKNCO-UHFFFAOYSA-N,C5H5NO,95.1,95.03711378,0.5,33.1,56,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIDOXINE,000065-23-6,1054,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol",CC1=NC=C(C(=C1O)CO)CO,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",LXNHXLLTXMVWPM-UHFFFAOYSA-N,C8H11NO3,169.18,169.0738932,-0.8,73.6,142,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-3-(3-PYRIDYL)ACRYLIC ACID,019337-97-4,776396,(E)-3-pyridin-3-ylprop-2-enoic acid,C1=CC(=CN=C1)/C=C/C(=O)O,"InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+",VUVORVXMOLQFMO-ONEGZZNKSA-N,C8H7NO2,149.15,149.0476785,0.8,50.2,165,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPICOLINIC ACID,000874-24-8,13401,3-hydroxypyridine-2-carboxylic acid,C1=CC(=C(N=C1)C(=O)O)O,"InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)",BRARRAHGNDUELT-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,1.3,70.4,137,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINONICOTINIC ACID,005345-47-1,72930,2-aminopyridine-3-carboxylic acid,C1=CC(=C(N=C1)N)C(=O)O,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)",KPIVDNYJNOPGBE-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,1.5,76.2,138,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINONICOTINIC ACID,003167-49-5,18496,6-aminopyridine-3-carboxylic acid,C1=CC(=NC=C1C(=O)O)N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)",ZCIFWRHIEBXBOY-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,1.4,76.2,138,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-4-METHYL-5-NITROPYRIDINE,021901-40-6,243165,4-methyl-5-nitropyridin-2-amine,CC1=CC(=NC=C1[N+](=O)[O-])N,"InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)",GRBBNZYMXKTQAI-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,0.7,84.7,156,0,1,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-5-NITROPYRIDINE,004214-76-0,77888,5-nitropyridin-2-amine,C1=CC(=NC=C1[N+](=O)[O-])N,"InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)",UGSBCCAHDVCHGI-UHFFFAOYSA-N,C5H5N3O2,139.11,139.0381764,0.9,84.7,133,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-NITROPYRIDINE,004214-75-9,77887,3-nitropyridin-2-amine,C1=CC(=C(N=C1)N)[N+](=O)[O-],"InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)",BPYHGTCRXDWOIQ-UHFFFAOYSA-N,C5H5N3O2,139.11,139.0381764,0.9,84.7,133,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPICOLINAMIDE,000933-90-4,70277,3-hydroxypyridine-2-carboxamide,C1=CC(=C(N=C1)C(=O)N)O,"InChI=1S/C6H6N2O2/c7-6(10)5-4(9)2-1-3-8-5/h1-3,9H,(H2,7,10)",VIHUZJYFQOEUMI-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0.7,76.2,138,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DI-TERT-BUTYLPYRIDINE",000585-48-8,68510,"2,6-ditert-butylpyridine",CC(C)(C)C1=NC(=CC=C1)C(C)(C)C,"InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3",UWKQJZCTQGMHKD-UHFFFAOYSA-N,C13H21N,191.31,191.1673997,4.1,12.9,162,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDOXIC ACID,000082-82-6,6723,3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid,CC1=NC=C(C(=C1O)C(=O)O)CO,"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)",HXACOUQIXZGNBF-UHFFFAOYSA-N,C8H9NO4,183.16,183.0531578,0.1,90.7,197,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-PYRIDINEDICARBOXAMIDE",004663-98-3,3511863,"pyridine-3,4-dicarboxamide",C1=CN=CC(=C1C(=O)N)C(=O)N,"InChI=1S/C7H7N3O2/c8-6(11)4-1-2-10-3-5(4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)",JYUVRSQEAUFLHD-UHFFFAOYSA-N,C7H7N3O2,165.15,165.0538265,-1.4,99.1,205,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(3-PYRIDYLMETHYL)UREA,036226-32-1,118929,pyridin-3-ylmethylurea,C1=CC(=CN=C1)CNC(=O)N,"InChI=1S/C7H9N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)",PWHUPFOHNXWYSH-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,-0.6,68,138,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-6-METHYL-2-NITROPYRIDINE,015128-90-2,84801,6-methyl-2-nitropyridin-3-ol,CC1=NC(=C(C=C1)O)[N+](=O)[O-],"InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3",WZMGQHIBXUAYGS-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,1.6,78.9,156,0,1,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-2-NITROPYRIDINE,015128-82-2,27057,2-nitropyridin-3-ol,C1=CC(=C(N=C1)[N+](=O)[O-])O,"InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H",QBPDSKPWYWIHGA-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,1.2,78.9,133,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDRAZINOPYRIDINE,004930-98-7,78645,pyridin-2-ylhydrazine,C1=CC=NC(=C1)NN,"InChI=1S/C5H7N3/c6-8-5-3-1-2-4-7-5/h1-4H,6H2,(H,7,8)",NWELCUKYUCBVKK-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,0.3,50.9,64,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2, 6-DIACETYLPYRIDINE",001129-30-2,70790,1-(6-acetyl-2-pyridinyl)ethanone,CC(=O)C1=NC(=CC=C1)C(=O)C,"InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3",BEZVGIHGZPLGBL-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,0.9,47,181,0,0,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-PYRIDINEDICARBOXALDEHYDE",005431-44-7,79485,"pyridine-2,6-dicarbaldehyde",C1=CC(=NC(=C1)C=O)C=O,InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H,PMWXGSWIOOVHEQ-UHFFFAOYSA-N,C7H5NO2,135.12,135.0320284,0.4,47,122,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-METHYL-2,3-PYRIDINEDICARBOXYLIC ACID",053636-70-7,542567,"6-methylpyridine-2,3-dicarboxylic acid",CC1=NC(=C(C=C1)C(=O)O)C(=O)O,"InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)",PHQBKLKZIXCRIX-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0.6,87.5,228,0,2,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-LUTIDINE-ALPHA2,3-DIOL",042097-42-7,135128,2-(hydroxymethyl)-6-methylpyridin-3-ol,CC1=NC(=C(C=C1)O)CO,"InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3",PAGTXDLKXRBHFL-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.6,53.4,108,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-IODO-2-PICOLIN-5-OL,023003-30-7,89957,2-iodo-6-methylpyridin-3-ol,CC1=NC(=C(C=C1)O)I,"InChI=1S/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3",HRZOWBGCOJWHDY-UHFFFAOYSA-N,C6H6INO,235.02,234.94941,1.6,33.1,99,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-6- METHYLPYRIDINE,000407-22-7,96090,2-fluoro-6-methylpyridine,CC1=NC(=CC=C1)F,"InChI=1S/C6H6FN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",UDMNVTJFUISBFD-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.2,12.9,74,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYPYRIDINE,000620-08-6,69278,4-methoxypyridine,COC1=CC=NC=C1,"InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3",XQABVLBGNWBWIV-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,1,22.1,59,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(2-HYDROXYETHYL) PYRIDINE,005344-27-4,72921,2-pyridin-4-ylethanol,C1=CN=CC=C1CCO,"InChI=1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2",DWPYQDGDWBKJQL-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.1,33.1,69,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISONICOTINAMIDE,001453-82-3,15074,pyridine-4-carboxamide,C1=CN=CC=C1C(=O)N,"InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)",VFQXVTODMYMSMJ-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,-0.3,56,108,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL NICOTINATE,000093-60-7,7151,methyl pyridine-3-carboxylate,COC(=O)C1=CN=CC=C1,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",YNBADRVTZLEFNH-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.8,39.2,125,0,0,3,2,10,,209.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-PYRIDYLCARBINOL,000100-55-0,7510,pyridin-3-ylmethanol,C1=CC(=CN=C1)CO,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MVQVNTPHUGQQHK-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0,33.1,65,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PYRIDINEPROPANOL,002859-67-8,17861,3-pyridin-3-ylpropan-1-ol,C1=CC(=CN=C1)CCCO,"InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2",ZUGAIMFLQLPTKB-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.6,33.1,85,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PYRIDINEPROPANOL,002629-72-3,72923,3-pyridin-4-ylpropan-1-ol,C1=CN=CC=C1CCCO,"InChI=1S/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2",PZVZGDBCMQBRMA-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.6,33.1,79,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ACETYLPYRIDINE,001122-62-9,14286,1-pyridin-2-ylethanone,CC(=O)C1=CC=CC=N1,"InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3",AJKVQEKCUACUMD-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.9,30,111,0,0,2,1,9,,189.00 to 193.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CHLORONICOTINIC ACID,005326-23-8,79222,6-chloropyridine-3-carboxylic acid,C1=CC(=NC=C1C(=O)O)Cl,"InChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)",UAWMVMPAYRWUFX-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,2.7,50.2,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(3-PYRIDYL)ACRYLIC ACID,001126-74-5,101984,3-pyridin-3-ylprop-2-enoic acid,C1=CC(=CN=C1)C=CC(=O)O,"InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)",VUVORVXMOLQFMO-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,0.8,50.2,165,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-PYRIDINEDICARBOXYLIC ACID",000100-26-5,7493,"pyridine-2,5-dicarboxylic acid",C1=CC(=NC=C1C(=O)O)C(=O)O,"InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)",LVPMIMZXDYBCDF-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,0.2,87.5,204,0,2,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINEETHANOL,000103-74-2,7675,2-pyridin-2-ylethanol,C1=CC=NC(=C1)CCO,"InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2",BXGYBSJAZFGIPX-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.1,33.1,75,0,1,2,2,9,,190 °C @ 200 mm Hg; 170 °C @ 100 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4,4-TRIFLUORO-1-(3-PYRIDINYL)-1,3-BUTANEDIONE",000582-73-0,68495,"4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione",C1=CC(=CN=C1)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6/h1-3,5H,4H2",MXVYPMBHALRMDU-UHFFFAOYSA-N,C9H6F3NO2,217.14,217.0350629,1.4,47,263,0,0,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBOXYLIC ACID, METHYL ESTER",002459-07-6,75569,methyl pyridine-2-carboxylate,COC(=O)C1=CC=CC=N1,"InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3",NMMIHXMBOZYNET-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.4,39.2,125,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIDINECARBOXYLIC ACID, METHYL ESTER",002459-09-8,227085,methyl pyridine-4-carboxylate,COC(=O)C1=CC=NC=C1,"InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3",OLXYLDUSSBULGU-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.9,39.2,119,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-3-PYRIDINECARBOXYLIC ACID,002942-59-8,76258,2-chloropyridine-3-carboxylic acid,C1=CC(=C(N=C1)Cl)C(=O)O,"InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)",IBRSSZOHCGUTHI-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,1.3,50.2,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-N-(PYRIDINE-2-YL)FORMAMIDE,067242-59-5,572611,N-methyl-N-pyridin-2-ylformamide,CN(C=O)C1=CC=CC=N1,"InChI=1S/C7H8N2O/c1-9(6-10)7-4-2-3-5-8-7/h2-6H,1H3",DIRVEOCOAHGVJV-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.6,33.2,116,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-2-CHLOROPYRIDINE,006298-19-7,80528,2-chloropyridin-3-amine,C1=CC(=C(N=C1)Cl)N,"InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2",MEQBJJUWDCYIAB-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,0.8,38.9,76,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL 2,5-PYRIDINE DICARBOXYLATE",000881-86-7,234911,"dimethyl pyridine-2,5-dicarboxylate",COC(=O)C1=CN=C(C=C1)C(=O)OC,"InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3",TUGSJNQAIMFEDY-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.9,65.5,229,0,0,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIBROMOPYRIDINE",000624-28-2,69353,"2,5-dibromopyridine",C1=CC(=NC=C1Br)Br,InChI=1S/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H,ZHXUWDPHUQHFOV-UHFFFAOYSA-N,C5H3Br2N,236.89,236.86117,2.6,12.9,76,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICOTINAMIDE-D4,347841-88-7,15554909,"2,4,5,6-tetradeuteriopyridine-3-carboxamide",[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)N)[2H],"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i1D,2D,3D,4D",DFPAKSUCGFBDDF-RHQRLBAQSA-N,C6H6N2O,126.15,126.0731198,-0.4,56,114,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-2-CHLOROPYRIDINE,005350-93-6,79305,6-chloropyridin-3-amine,C1=CC(=NC=C1N)Cl,"InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2",QAJYCQZQLVENRZ-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,1.1,38.9,76,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-METHYL-2-PYRIDINYL)ETHANONE,059576-26-0,564760,1-(4-methyl-2-pyridinyl)ethanone,CC1=CC(=NC=C1)C(=O)C,"InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3",HRVQMQWVGKYDCF-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.2,30,133,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-METHOXYPYRIDINE,013472-85-0,2734895,5-bromo-2-methoxypyridine,COC1=NC=C(C=C1)Br,"InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3",XADICJHFELMBGX-UHFFFAOYSA-N,C6H6BrNO,188.02,186.96328,2.4,22.1,89,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-NITROPYRIDINE,039856-50-3,817620,5-bromo-2-nitropyridine,C1=CC(=NC=C1Br)[N+](=O)[O-],InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H,ATXXLNCPVSUCNK-UHFFFAOYSA-N,C5H3BrN2O2,202.99,201.93779,1.7,58.7,136,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-IODOPYRIDINE,223463-13-6,593690,5-bromo-2-iodopyridine,C1=CC(=NC=C1Br)I,InChI=1S/C5H3BrIN/c6-4-1-2-5(7)8-3-4/h1-3H,HSNBRDZXJMPDGH-UHFFFAOYSA-N,C5H3BrIN,283.89,282.84936,2.2,12.9,78,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-CHLOROPYRIDINE,053939-30-3,2734414,5-bromo-2-chloropyridine,C1=CC(=NC=C1Br)Cl,InChI=1S/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3H,PEAOEIWYQVXZMB-UHFFFAOYSA-N,C5H3BrClN,192.44,190.91374,2.5,12.9,78,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-METHYLPYRIDINE,003510-66-5,564216,2-bromo-5-methylpyridine,CC1=CN=C(C=C1)Br,"InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3",YWNJQQNBJQUKME-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,2.4,12.9,74,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATE",005371-70-0,237845,"dimethyl 4-chloropyridine-2,6-dicarboxylate",COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl,"InChI=1S/C9H8ClNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3",NFXKYKHKNUFOKB-UHFFFAOYSA-N,C9H8ClNO4,229.62,229.0141854,1.9,65.5,234,0,0,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NICOTINIC ACID, HYDRAZIDE",000553-53-7,11112,pyridine-3-carbohydrazide,C1=CC(=CN=C1)C(=O)NN,"InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)",KFUSANSHCADHNJ-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,-0.7,68,126,0,2,3,1,10,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-3-PYRIDINOL,006602-32-0,23070,2-bromopyridin-3-ol,C1=CC(=C(N=C1)Br)O,"InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H",YKHQFTANTNMYPP-UHFFFAOYSA-N,C5H4BrNO,174,172.94763,1.5,33.1,78,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CHLOROPICOLINIC ACID,004684-94-0,20812,6-chloropyridine-2-carboxylic acid,C1=CC(=NC(=C1)Cl)C(=O)O,"InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)",ZLKMOIHCHCMSFW-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,1.7,50.2,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL ISONICOTINATE,001570-45-2,15291,ethyl pyridine-4-carboxylate,CCOC(=O)C1=CC=NC=C1,"InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3",MCRPKBUFXAKDKI-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.4,39.2,130,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYL-2-PYRIDINECARBOXYLIC ACID,000934-60-1,70282,6-methylpyridine-2-carboxylic acid,CC1=NC(=CC=C1)C(=O)O,"InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)",LTUUGSGSUZRPRV-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.1,50.2,136,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIS(1,1-DIMETHYLETHYL)PYRIDINE",020336-15-6,140675,"2,4,6-tritert-butylpyridine",CC(C)(C)C1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C17H29N/c1-15(2,3)12-10-13(16(4,5)6)18-14(11-12)17(7,8)9/h10-11H,1-9H3",IDOFMGSESVXXQI-UHFFFAOYSA-N,C17H29N,247.4,247.2299999,5.9,12.9,249,0,0,1,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BROMO-3-PYRIDINECARBOXALDEHYDE,149806-06-4,11769234,6-bromopyridine-3-carbaldehyde,C1=CC(=NC=C1C=O)Br,InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H,PVUKGNBRJFTFNJ-UHFFFAOYSA-N,C6H4BrNO,186.01,184.94763,1.3,30,107,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYNYLPYRIDINE HYDROCHLORIDE,352530-29-1,16216931,4-ethynylpyridine;hydrochloride,C#CC1=CC=NC=C1.Cl,"InChI=1S/C7H5N.ClH/c1-2-7-3-5-8-6-4-7;/h1,3-6H;1H",KFBZWZGIZHLUBX-UHFFFAOYSA-N,C7H6ClN,139.58,139.0188769,,12.9,103,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER",007170-36-7,4019172,6-methoxycarbonylpyridine-2-carboxylic acid,COC(=O)C1=CC=CC(=N1)C(=O)O,"InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)",VWIOMFMPIVMLIR-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0.9,76.5,216,0,1,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYLPYRIDINE-2-CARBONITRILE,001620-75-3,74182,6-methylpyridine-2-carbonitrile,CC1=NC(=CC=C1)C#N,"InChI=1S/C7H6N2/c1-6-3-2-4-7(5-8)9-6/h2-4H,1H3",CMADFEQMYFNYCF-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,0.8,36.7,133,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-PYRIDINECARBOXALDEHYDE,007521-41-7,737633,2-aminopyridine-3-carbaldehyde,C1=CC(=C(N=C1)N)C=O,"InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)",NXMFJCRMSDRXLD-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,0.5,56,105,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-PYRIDINECARBOXALDEHYDE,031181-90-5,9877562,5-bromopyridine-2-carbaldehyde,C1=CC(=NC=C1Br)C=O,InChI=1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H,ZQVLPMNLLKGGIU-UHFFFAOYSA-N,C6H4BrNO,186.01,184.94763,1.3,30,107,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXYPICOLINALDEHYDE,022187-96-8,23450640,5-methoxypyridine-2-carbaldehyde,COC1=CN=C(C=C1)C=O,"InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)8-4-7/h2-5H,1H3",CTYUCLSCBVSTAA-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.6,39.2,116,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL-6-(HYDROXYMETHYL)PYRIDINE-2-CARBOXYLATE,039977-44-1,11513809,methyl 6-(hydroxymethyl)pyridine-2-carboxylate,COC(=O)C1=CC=CC(=N1)CO,"InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3",DVIUNMLAPDJWHL-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,0.2,59.4,160,0,1,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ACETYL-6-BROMOPYRIDINE,049669-13-8,11298578,1-(6-bromo-2-pyridinyl)ethanone,CC(=O)C1=NC(=CC=C1)Br,"InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3",RUJTWTUYVOEEFW-UHFFFAOYSA-N,C7H6BrNO,200.03,198.96328,1.9,30,138,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(3-PYRIDINYLCARBONYL)-GLYCINE,000583-08-4,68499,2-(pyridine-3-carbonylamino)acetic acid,C1=CC(=CN=C1)C(=O)NCC(=O)O,"InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)",ZBSGKPYXQINNGF-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,-0.4,79.3,206,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PYRIDINE-3-SULFONATE,015521-77-4,23677935,sodium pyridine-3-sulfonate,C1=CC(=CN=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C5H5NO3S.Na/c7-10(8,9)5-2-1-3-6-4-5;/h1-4H,(H,7,8,9);/q;+1/p-1",CQSNULMCHIOCCX-UHFFFAOYSA-M,C5H4NNaO3S,181.15,180.9809585,,78.5,198,0,0,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DIMETHYL PYRIDINE-3,5-DICARBOXYLATE",004591-55-3,78339,"dimethyl pyridine-3,5-dicarboxylate",COC(=O)C1=CC(=CN=C1)C(=O)OC,"InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3",HDTNLHHNQYBOHJ-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.6,65.5,207,0,0,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBOXYLIC ACID, SODIUM SALT",000054-86-4,23687810,sodium pyridine-3-carboxylate,C1=CC(=CN=C1)C(=O)[O-].[Na+],"InChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1",KFLRWGSAMLBHBV-UHFFFAOYSA-M,C6H4NNaO2,145.09,145.0139727,,53,118,0,0,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PYRIDINEDICARBOXYLIC ACID",000499-80-9,10365,"pyridine-2,4-dicarboxylic acid",C1=CN=C(C=C1C(=O)O)C(=O)O,"InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",MJIVRKPEXXHNJT-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,0.2,87.5,204,0,2,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBOXYLIC ACID, 1-METHYLETHYL ESTER",000553-60-6,68379,propan-2-yl pyridine-3-carboxylate,CC(C)OC(=O)C1=CN=CC=C1,"InChI=1S/C9H11NO2/c1-7(2)12-9(11)8-4-3-5-10-6-8/h3-7H,1-2H3",VSRSQDMWBSKNSF-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.6,39.2,157,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBOXYLIC ACID, HYDROCHLORIDE",000636-80-6,71559,pyridine-2-carboxylic acid;hydrochloride,C1=CC=NC(=C1)C(=O)O.Cl,"InChI=1S/C6H5NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);1H",HFAFXVOPGDBAOK-UHFFFAOYSA-N,C6H6ClNO2,159.57,159.0087061,,50.2,114,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIDINE, 4-(1-METHYLETHYL)-",000696-30-0,69674,4-propan-2-ylpyridine,CC(C)C1=CC=NC=C1,"InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3",FRGXNJWEDDQLFH-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,12.9,72,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBOXALDEHYDE, 6-METHYL-",001122-72-1,70737,6-methylpyridine-2-carbaldehyde,CC1=NC(=CC=C1)C=O,"InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3",AHISYUZBWDSPQL-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,1,30,103,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINECARBOXAMIDE,001452-77-3,15070,pyridine-2-carboxamide,C1=CC=NC(=C1)C(=O)N,"InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)",IBBMAWULFFBRKK-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,0.2,56,114,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINEMETHANETHIOL,002044-73-7,256071,pyridin-2-ylmethanethiol,C1=CC=NC(=C1)CS,"InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2",SJIIDWBFRZACDQ-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,1,13.9,65,0,1,2,1,8,,57.00 to 58.00 °C. @ 0.60 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINECARBOXYLIC ACID, ETHYL ESTER",002524-52-9,17307,ethyl pyridine-2-carboxylate,CCOC(=O)C1=CC=CC=N1,"InChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3",FQYYIPZPELSLDK-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.9,39.2,136,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRIDINEPROPANOL,002859-68-9,72922,3-pyridin-2-ylpropan-1-ol,C1=CC=NC(=C1)CCCO,"InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2",FVZXYJDGVYLMDB-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.6,33.1,85,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINEETHANAMINE, N-METHYL-",005638-76-6,2366,N-methyl-2-pyridin-2-ylethanamine,CNCCC1=CC=CC=N1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",UUQMNUMQCIQDMZ-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,0.4,24.9,83,0,1,2,3,10,,210.9±15.0 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIDINECARBOXAMIDE, N-(2-HYDROXYETHYL)-",006265-74-3,73327,N-(2-hydroxyethyl)pyridine-4-carboxamide,C1=CN=CC=C1C(=O)NCCO,"InChI=1S/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12)",QVPWDPDVDVVXIB-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,-0.6,62.2,144,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBOXYLIC ACID, BUTYL ESTER",006938-06-3,81353,butyl pyridine-3-carboxylate,CCCCOC(=O)C1=CN=CC=C1,"InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3",DQULIMIQTCDUAN-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.3,39.2,159,0,0,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (4-PYRIDINYLTHIO)-",010351-19-6,82574,2-pyridin-4-ylsulfanylacetic acid,C1=CN=CC=C1SCC(=O)O,"InChI=1S/C7H7NO2S/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)",PGUPJAPHYIEKLT-UHFFFAOYSA-N,C7H7NO2S,169.2,169.0197496,1,75.5,134,0,1,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINEACETIC ACID, HYDROCHLORIDE",016179-97-8,85317,2-pyridin-2-ylacetic acid;hydrochloride,C1=CC=NC(=C1)CC(=O)O.Cl,"InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H",MQVISALTZUNQSK-UHFFFAOYSA-N,C7H8ClNO2,173.6,173.0243562,,50.2,125,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBOXYLIC ACID, HEXYL ESTER",023597-82-2,90202,hexyl pyridine-3-carboxylate,CCCCCCOC(=O)C1=CN=CC=C1,"InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3",RVYGVBZGSFLJKH-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,3.6,39.2,182,0,0,3,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, 5-BROMO-6-METHYL-",042753-71-9,170678,5-bromo-6-methylpyridin-2-amine,CC1=C(C=CC(=N1)N)Br,"InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)",SEOZHXRTVJPQPZ-UHFFFAOYSA-N,C6H7BrN2,187.04,185.97926,1.6,38.9,97,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINEPROPANOL, 6-METHYL-",061744-43-2,109132,3-(6-methyl-2-pyridinyl)propan-1-ol,CC1=NC(=CC=C1)CCCO,"InChI=1S/C9H13NO/c1-8-4-2-5-9(10-8)6-3-7-11/h2,4-5,11H,3,6-7H2,1H3",DJPVDQYTBDDIAM-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.2,33.1,106,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[3-(6-METHYL-2-PYRIDINYL)PROPOXY]-",070715-17-2,116851,2-[3-(6-methyl-2-pyridinyl)propoxy]ethanol,CC1=NC(=CC=C1)CCCOCCO,"InChI=1S/C11H17NO2/c1-10-4-2-5-11(12-10)6-3-8-14-9-7-13/h2,4-5,13H,3,6-9H2,1H3",OIUHSFKEXYXWSD-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,1.1,42.4,141,0,1,3,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-[2-(1-METHYLETHOXY)ETHYL]-",070715-19-4,116853,2-(2-propan-2-yloxyethyl)pyridine,CC(C)OCCC1=CC=CC=N1,"InChI=1S/C10H15NO/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3",PFQFWWAQORECNJ-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.5,22.1,114,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIDINECARBOXAMIDE, N,N-BIS(2-HYDROXYETHYL)-",070892-82-9,116925,"N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide",C1=CN=CC=C1C(=O)N(CCO)CCO,"InChI=1S/C10H14N2O3/c13-7-5-12(6-8-14)10(15)9-1-3-11-4-2-9/h1-4,13-14H,5-8H2",MTPZSDPCKPPQCT-UHFFFAOYSA-N,C10H14N2O3,210.23,210.1004423,-1.1,73.7,187,0,2,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROPYRIDINE-5-BORONIC ACID,,2783397,(6-fluoro-3-pyridinyl)boronic acid,B(C1=CN=C(C=C1)F)(O)O,"InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H",OJBYZWHAPXIJID-UHFFFAOYSA-N,C5H5BFNO2,140.91,141.0397367,,53.4,114,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PYRIDINEACETIC ACID,000501-81-5,108,2-pyridin-3-ylacetic acid,C1=CC(=CN=C1)CC(=O)O,"InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)",WGNUNYPERJMVRM-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,-0.1,50.2,125,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPICOLINIC ACID,001462-86-8,73836,3-aminopyridine-2-carboxylic acid,C1=CC(=C(N=C1)C(=O)O)N,"InChI=1S/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)",BOOMHTFCWOJWFO-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0.6,76.2,138,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
CYANOMETHYL METHYL(4-PYRIDYL)CARBAMODITHIOATE,1158958-89-4,58035963,cyanomethyl N-methyl-N-pyridin-4-ylcarbamodithioate,CN(C1=CC=NC=C1)C(=S)SCC#N,"InChI=1S/C9H9N3S2/c1-12(9(13)14-7-4-10)8-2-5-11-6-3-8/h2-3,5-6H,7H2,1H3",URLWWHOJXDIKQC-UHFFFAOYSA-N,C9H9N3S2,223.3,223.0237897,1.5,97.3,240,0,0,4,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PYRIDINE, 4-(4,8-DIMETHYL-3,7-NONADIENYL)-",038462-23-6,162309,"4-(4,8-dimethylnona-3,7-dienyl)pyridine",CC(=CCCC(=CCCC1=CC=NC=C1)C)C,"InChI=1S/C16H23N/c1-14(2)6-4-7-15(3)8-5-9-16-10-12-17-13-11-16/h6,8,10-13H,4-5,7,9H2,1-3H3",OVJCOXQJBRJIRJ-UHFFFAOYSA-N,C16H23N,229.36,229.1830497,4.9,12.9,253,0,0,1,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
DICLORAM TRIISOPROPANOLAMINE,006753-47-5,62620,"4-amino-3,5,6-trichloropyridine-2-carboxylic acid;1-[bis(2-hydroxypropyl)amino]propan-2-ol",CC(CN(CC(C)O)CC(C)O)O.C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,"InChI=1S/C9H21NO3.C6H3Cl3N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7-9,11-13H,4-6H2,1-3H3;(H2,10,11)(H,12,13)",XQVYHLBQRMKACP-UHFFFAOYSA-N,C15H24Cl3N3O5,432.7,431.078154,,140,324,0,5,8,7,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
PICLORAM METHYL ESTER,,84224,"methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate",COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl,"InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)",RJQUHEYNLDNJLN-UHFFFAOYSA-N,C7H5Cl3N2O2,255.5,253.94166,2.6,65.2,229,0,1,4,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHLORPYRIFOS METHYL [O,O-DIMETHYL-O-(3,5,6-TRICHLORO-2-PYRIDYL)PHOSPHOROTHIO",005598-13-0,21803,"dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane",COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",HRBKVYFZANMGRE-UHFFFAOYSA-N,C7H7Cl3NO3PS,322.5,320.894984,4.3,72.7,278,0,0,5,4,16,182 °C (Cleveland open cup),,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
VITAMIN B6,000058-56-0,6019,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride",CC1=NC=C(C(=C1O)CO)CO.Cl,"InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H",ZUFQODAHGAHPFQ-UHFFFAOYSA-N,C8H12ClNO3,205.64,205.0505709,,73.6,142,0,4,4,2,13,,Sublimes,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINECARBOXYLIC ACID, 3,6-DICHLORO-",001702-17-6,15553,"3,6-dichloropyridine-2-carboxylic acid",C1=CC(=NC(=C1Cl)C(=O)O)Cl,"InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)",HUBANNPOLNYSAD-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,2.3,50.2,165,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CLOPYRALID: (3,6-DICHLORO-2-PYRIDINECARBOXYLIC ACID), MONOETHANOLAMINE SALT",057754-85-5,162839,"2-aminoethanol;3,6-dichloropyridine-2-carboxylic acid",C1=CC(=NC(=C1Cl)C(=O)O)Cl.C(CO)N,"InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2",NQQBTWVFKDDVIB-UHFFFAOYSA-N,C8H10Cl2N2O3,253.08,252.0068476,,96.4,175,0,3,5,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
NICOTINIC ACID,000059-67-6,938,pyridine-3-carboxylic acid,C1=CC(=CN=C1)C(=O)O,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N,C6H5NO2,123.11,123.0320284,0.4,50.2,114,0,1,3,1,9,193 °C (379 °F) - closed cup,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PYRIDOXAL 5'-PHOSPHATE HYDRATE,853645-22-4,1051,(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate,CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",NGVDGCNFYWLIFO-UHFFFAOYSA-N,C8H10NO6P,247.14,247.024574,-1.1,117,292,0,3,7,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINECARBOXYLIC ACID, ETHYL ESTER",000614-18-6,69188,ethyl pyridine-3-carboxylate,CCOC(=O)C1=CN=CC=C1,"InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3",XBLVHTDFJBKJLG-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.3,39.2,136,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PICLORAM,001918-02-1,15965,"4-amino-3,5,6-trichloropyridine-2-carboxylic acid",C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,"InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)",NQQVFXUMIDALNH-UHFFFAOYSA-N,C6H3Cl3N2O2,241.5,239.92601,2.2,76.2,216,0,2,4,1,13,Tordon 22k: 46 °C toc; tordon 101 mixture--combustible with an toc flash point of 35 °C; Tordon 155 mixture--104 °C coc /Tordon/,"Decomposes (NIOSH, 2024)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
6-AMINONICOTINAMIDE,000329-89-5,9500,6-aminopyridine-3-carboxamide,C1=CC(=NC=C1C(=O)N)N,"InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)",ZLWYEPMDOUQDBW-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,0.7,82,137,0,2,3,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Pyridinemethanol, 4,6-dimethyl-5-hydroxy-",000061-67-6,6094,"5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol",CC1=C(C(=NC=C1CO)C)O,"InChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3",KKOWAYISKWGDBG-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,-0.1,53.4,129,0,2,3,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIPROPYL ISOCINCHOMERONATE,000136-45-8,8693,"dipropyl pyridine-2,5-dicarboxylate",CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC,"InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3",IITCWRFYJWUUPC-UHFFFAOYSA-N,C13H17NO4,251.28,251.115758,2.7,65.5,280,0,0,5,8,18,93.4 °C (200.1 °F) - closed cup,BP: 150 °C at 1 mm Hg,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aminopyralid, Triisopropanolamine Salt",566191-89-7,18772485,"4-amino-3,6-dichloropyridine-2-carboxylic acid;1-[bis(2-hydroxypropyl)amino]propan-2-ol",CC(CN(CC(C)O)CC(C)O)O.C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N,"InChI=1S/C9H21NO3.C6H4Cl2N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-3-1-2(9)4(8)5(10-3)6(11)12/h7-9,11-13H,4-6H2,1-3H3;1H,(H2,9,10)(H,11,12)",SLYAVQCIBHSIQW-UHFFFAOYSA-N,C15H25Cl2N3O5,398.3,397.1171263,,140,299,0,5,8,7,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DITHIOPYR [2-(DIFLUOROMETHYL)-4-(2-METHYLPROPYL)-6-(TRIFLUOROMETHYL)-3,5-PYRID",097886-45-8,91757,"3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate",CC(C)CC1=C(C(=NC(=C1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC,"InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3",YUBJPYNSGLJZPQ-UHFFFAOYSA-N,C15H16F5NO2S2,401.4,401.0542619,4.8,97.6,487,0,0,10,7,25,,65 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUROXYPYR 1-METHYHEPTYL ESTER,081406-37-3,54745,"octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate",CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F,"InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)",OLZQTUCTGLHFTQ-UHFFFAOYSA-N,C15H21Cl2FN2O3,367.2,366.0913261,5.4,74.4,366,0,1,6,10,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Pyridoxal,66-72-8,1050,3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde,CC1=NC=C(C(=C1O)C=O)CO,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",RADKZDMFGJYCBB-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,0,70.4,162,0,2,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinamide, 5-fluoro-",70-58-6,101264,5-fluoropyridine-3-carboxamide,C1=C(C=NC=C1F)C(=O)N,"InChI=1S/C6H5FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)",GCDSJMZGWCQCRU-UHFFFAOYSA-N,C6H5FN2O,140.11,140.038591,-0.2,56,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxylic acid, 5-fluoro-",402-66-4,120232,5-fluoropyridine-3-carboxylic acid,C1=C(C=NC=C1F)C(=O)O,"InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)",BXZSBDDOYIWMGC-UHFFFAOYSA-N,C6H4FNO2,141.1,141.0226065,0.5,50.2,140,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridoxol, 5-(dihydrogen phosphate)",447-05-2,1055,[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate,CC1=NC=C(C(=C1O)CO)COP(=O)(O)O,"InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)",WHOMFKWHIQZTHY-UHFFFAOYSA-N,C8H12NO6P,249.16,249.0402241,-1.9,120,269,0,4,7,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester",455-70-9,120247,methyl 5-fluoropyridine-3-carboxylate,COC(=O)C1=CC(=CN=C1)F,"InChI=1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3",PGCFLXMMCWKPDU-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,0.8,39.2,151,0,0,4,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2,4-diamino-",461-88-1,68036,"pyridine-2,4-diamine",C1=CN=C(C=C1N)N,"InChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8)",IFFLKGMDBKQMAH-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,-0.2,64.9,74,0,2,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, alpha-(dihydrogen phosphate)",529-96-4,1053,[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate,CC1=NC=C(C(=C1O)CN)COP(=O)(O)O,"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)",ZMJGSOSNSPKHNH-UHFFFAOYSA-N,C8H13N2O5P,248.17,248.0562085,-4.4,126,271,0,4,7,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinamide, N,N-diethyl-",530-40-5,10735,"N,N-diethylpyridine-4-carboxamide",CCN(CC)C(=O)C1=CC=NC=C1,"InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3",CDQAJSRQKGFYDY-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,1,33.2,160,0,0,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 5-amino-2-butoxy-",539-23-1,68314,6-butoxypyridin-3-amine,CCCCOC1=NC=C(C=C1)N,"InChI=1S/C9H14N2O/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6,10H2,1H3",DAFKCYYRSZSMAJ-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,1.7,48.1,119,0,1,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Nicotinaldehyde thiosemicarbazone,555-90-8,6474573,[(E)-pyridin-3-ylmethylideneamino]thiourea,C1=CC(=CN=C1)/C=N/NC(=S)N,"InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)/b10-5+",ABWLRVJYVVQTGQ-BJMVGYQFSA-N,C7H8N4S,180.23,180.0469675,0.1,95.4,180,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Pyridinemethanol,586-98-1,11474,pyridin-2-ylmethanol,C1=CC=NC(=C1)CO,"InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2",SHNUBALDGXWUJI-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.1,33.1,65,0,1,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinaldehyde, oxime",873-69-8,13395,N-(pyridin-2-ylmethylidene)hydroxylamine,C1=CC=NC(=C1)C=NO,"InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H",MTFJSAGADRTKCI-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,0.7,45.5,103,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinol, 2,6-dimethyl-",1122-43-6,70732,"2,6-dimethylpyridin-3-ol",CC1=NC(=C(C=C1)O)C,"InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3",AMQJAKKATFMFTR-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.3,33.1,94,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-ethenyl-6-methyl-",1122-70-9,70735,2-ethenyl-6-methylpyridine,CC1=NC(=CC=C1)C=C,"InChI=1S/C8H9N/c1-3-8-6-4-5-7(2)9-8/h3-6H,1H2,2H3",VMWGBWNAHAUQIO-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,2.1,12.9,98,0,0,1,1,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-hexyl-",1129-69-7,70797,2-hexylpyridine,CCCCCCC1=CC=CC=N1,"InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3",NZLJDTKLZIMONR-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.4,12.9,101,0,0,1,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinemethanol, 5-hydroxy-4-(mercaptomethyl)-6-methyl-, hydrochloride",1198-26-1,200230,5-(hydroxymethyl)-2-methyl-4-(sulfanylmethyl)pyridin-3-ol;hydrochloride,CC1=NC=C(C(=C1O)CS)CO.Cl,"InChI=1S/C8H11NO2S.ClH/c1-5-8(11)7(4-12)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H",OSIHSOCCTSYTLJ-UHFFFAOYSA-N,C8H12ClNO2S,221.71,221.0277275,,54.4,145,0,4,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Isonicotinaldehyde thiosemicarbazone,1200-00-6,6433252,[(E)-pyridin-4-ylmethylideneamino]thiourea,C1=CN=CC=C1/C=N/NC(=S)N,"InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)/b10-5+",QTSJJDIDTYFLFC-BJMVGYQFSA-N,C7H8N4S,180.23,180.0469675,0.1,95.4,174,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-",1464-33-1,76581,5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,CC1=NC=C(C(=C1O)COC)CO,"InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3",SVINQHQHARVZFF-UHFFFAOYSA-N,C9H13NO3,183.2,183.0895433,-0.9,62.6,154,0,2,4,3,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Isonicotinamidoxime,1594-57-6,135476661,N'-hydroxypyridine-4-carboximidamide,C1=CN=CC=C1/C(=N/O)/N,"InChI=1S/C6H7N3O/c7-6(9-10)5-1-3-8-4-2-5/h1-4,10H,(H2,7,9)",ZUUATXHRJFHSGO-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,0,71.5,129,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinic acid, 2-(diethylamino)ethyl ester, citrate (1:1)",1641-74-3,92897,"2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid",CCN(CC)CCOC(=O)C1=CN=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",IABBAGAOMDWOCW-UHFFFAOYSA-N,C18H26N2O9,414.4,414.1638304,,175,433,0,4,11,12,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-Propanone, 1-(4-pyridyl)-",1701-69-5,74343,1-pyridin-4-ylpropan-1-one,CCC(=O)C1=CC=NC=C1,"InChI=1S/C8H9NO/c1-2-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3",AFHFHXVRHACYSR-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.8,30,116,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Picolinamidoxime,1772-01-6,120564,N'-hydroxypyridine-2-carboximidamide,C1=CC=NC(=C1)C(=NO)N,"InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9)",XKXCGXSHUNVFCT-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,0.4,71.5,135,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Picoline, 4-amino-",1990-90-5,74811,3-methylpyridin-4-amine,CC1=C(C=CN=C1)N,"InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)",VGJLGPCXUGIXRQ-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.5,38.9,72,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-Pyridineethanethiol,2044-28-2,150963,2-pyridin-2-ylethanethiol,C1=CC=NC(=C1)CCS,"InChI=1S/C7H9NS/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2",NJUDGWVAKJCALG-UHFFFAOYSA-N,C7H9NS,139.22,139.0455705,1.1,13.9,75,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinol, 2-ethyl-6-methyl-",2364-75-2,114681,2-ethyl-6-methylpyridin-3-ol,CCC1=C(C=CC(=N1)C)O,"InChI=1S/C8H11NO/c1-3-7-8(10)5-4-6(2)9-7/h4-5,10H,3H2,1-2H3",JPGDYIGSCHWQCC-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.7,33.1,105,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridine, 2,3-dichloro-",2402-77-9,16988,"2,3-dichloropyridine",C1=CC(=C(N=C1)Cl)Cl,InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H,MAKFMOSBBNKPMS-UHFFFAOYSA-N,C5H3Cl2N,147.99,146.9642545,2.1,12.9,76,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinic acid, 4-amino-3,5,6-trichloro-, monopotassium salt",2545-60-0,23664718,"potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate",C1(=C(C(=NC(=C1Cl)Cl)C(=O)[O-])Cl)N.[K+],"InChI=1S/C6H3Cl3N2O2.K/c7-1-3(10)2(8)5(9)11-4(1)6(12)13;/h(H2,10,11)(H,12,13);/q;+1/p-1",ZRHANBBTXQZFSP-UHFFFAOYSA-M,C6H2Cl3KN2O2,279.5,277.881892,,79,221,0,1,4,1,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Pyridine, 2-(chloromethyl)-6-methyl-, hydrochloride",3099-30-7,76545,2-(chloromethyl)-6-methylpyridine;hydrochloride,CC1=NC(=CC=C1)CCl.Cl,"InChI=1S/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H",QFLPSIUFCCCRMI-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,12.9,85,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-, hydrochloride",3131-27-9,76580,5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol;hydrochloride,CC1=NC=C(C(=C1O)COC)CO.Cl,"InChI=1S/C9H13NO3.ClH/c1-6-9(12)8(5-13-2)7(4-11)3-10-6;/h3,11-12H,4-5H2,1-2H3;1H",WIQVPGFUYBUXNC-UHFFFAOYSA-N,C9H14ClNO3,219.66,219.066221,,62.6,154,0,3,4,3,14,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinamide, N-(hydroxymethyl)-",3569-99-1,77116,N-(hydroxymethyl)pyridine-3-carboxamide,C1=CC(=CN=C1)C(=O)NCO,"InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)",JRFKIOFLCXKVOT-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,-0.6,62.2,138,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinaldehyde, thiosemicarbazone",3608-75-1,1638753,(pyridin-2-ylmethylideneamino)thiourea,C1=CC=NC(=C1)C=NNC(=S)N,"InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-3-1-2-4-9-6/h1-5H,(H3,8,11,12)",GXBCCUBTQFNGFA-UHFFFAOYSA-N,C7H8N4S,180.23,180.0469675,1.4,95.4,180,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Nicotinoyl azide,4013-72-3,19914,pyridine-3-carbonyl azide,C1=CC(=CN=C1)C(=O)N=[N+]=[N-],InChI=1S/C6H4N4O/c7-10-9-6(11)5-2-1-3-8-4-5/h1-4H,ZNSIOEUWGZNHAQ-UHFFFAOYSA-N,C6H4N4O,148.12,148.0385108,1.6,44.3,197,0,0,3,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"3-Pyridinebutanoic acid, gamma-oxo-",4192-31-8,437,4-oxo-4-pyridin-3-ylbutanoic acid,C1=CC(=CN=C1)C(=O)CCC(=O)O,"InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)",JGSUNMCABQUBOY-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,-0.1,67.3,203,0,1,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 3-(2-chloroethyl)-, hydrochloride",4226-36-2,199465,3-(2-chloroethyl)pyridine;hydrochloride,C1=CC(=CN=C1)CCCl.Cl,"InChI=1S/C7H8ClN.ClH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2;1H",AGHZTJNWQBPUGL-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,12.9,75,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(2-chloroethyl)-, hydrochloride",4226-37-3,199467,2-(2-chloroethyl)pyridine;hydrochloride,C1=CC=NC(=C1)CCCl.Cl,"InChI=1S/C7H8ClN.ClH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2;1H",UCZKIFBRVWUSTF-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,12.9,75,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinamide, N-ethyl-",4314-66-3,78007,N-ethylpyridine-3-carboxamide,CCNC(=O)C1=CN=CC=C1,"InChI=1S/C8H10N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)",ZXOAHASJYIUCBG-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.3,42,136,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3,4-diamino-5-nitro-",4318-68-7,3370517,"5-nitropyridine-3,4-diamine",C1=C(C(=C(C=N1)[N+](=O)[O-])N)N,"InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)",OMUADEPNIQXNRG-UHFFFAOYSA-N,C5H6N4O2,154.13,154.0490755,-0.1,111,157,0,2,5,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2,5-diamino-",4318-76-7,20314,"pyridine-2,5-diamine",C1=CC(=NC=C1N)N,"InChI=1S/C5H7N3/c6-4-1-2-5(7)8-3-4/h1-3H,6H2,(H2,7,8)",MIROPXUFDXCYLG-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,-0.2,64.9,74,0,2,3,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinic acid, 5-methyl-",4434-13-3,199575,5-methylpyridine-2-carboxylic acid,CC1=CN=C(C=C1)C(=O)O,"InChI=1S/C7H7NO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4H,1H3,(H,9,10)",HWMYXZFRJDEBKC-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.1,50.2,136,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-chloro-5-nitro-",4548-45-2,78308,2-chloro-5-nitropyridine,C1=CC(=NC=C1[N+](=O)[O-])Cl,InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,BAZVFQBTJPBRTJ-UHFFFAOYSA-N,C5H3ClN2O2,158.54,157.988305,2.2,58.7,136,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-methylamino-",4597-87-9,20727,N-methylpyridin-2-amine,CNC1=CC=CC=N1,"InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)",SVEUVITYHIHZQE-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,1.1,24.9,63,0,1,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 3-bromo-4,5-diamino-",8/9/35,78369,"5-bromopyridine-3,4-diamine",C1=C(C(=C(C=N1)Br)N)N,"InChI=1S/C5H6BrN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)",CMFSWSZEHYPECE-UHFFFAOYSA-N,C5H6BrN3,188.03,186.97451,0.2,64.9,98,0,2,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-Pyridinemethanol, alpha-methyl-",4754-27-2,101192,1-pyridin-3-ylethanol,CC(C1=CN=CC=C1)O,"InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3",QMDUEBURHKSKDG-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1,33.1,85,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinamine, 2,3,5-trichloro-6-(trichloromethyl)-",5005-62-9,138402,"2,3,5-trichloro-6-(trichloromethyl)pyridin-4-amine",C1(=C(C(=NC(=C1Cl)Cl)C(Cl)(Cl)Cl)Cl)N,"InChI=1S/C6H2Cl6N2/c7-1-3(13)2(8)5(9)14-4(1)6(10,11)12/h(H2,13,14)",VNJVZJNBTWPKNX-UHFFFAOYSA-N,C6H2Cl6N2,314.8,313.831964,4,38.9,207,0,1,2,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(4-pyridyl)-",5221-42-1,21288,N-pyridin-4-ylacetamide,CC(=O)NC1=CC=NC=C1,"InChI=1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)",BIJAWQUBRNHZGE-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.5,42,119,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 5-ethyl-2-hydroxyethyl-",6/3/23,78894,2-(5-ethyl-2-pyridinyl)ethanol,CCC1=CN=C(C=C1)CCO,"InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3",OUJMXIPHUCDRAS-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.3,33.1,106,0,1,2,3,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-2-pyridinyl-",5231-96-9,72929,N-pyridin-2-ylacetamide,CC(=O)NC1=CC=CC=N1,"InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)",QROKOTBWFZITJZ-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.6,42,125,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Picolinamide, thio-",5346-38-3,1549499,pyridine-2-carbothioamide,C1=CC=NC(=C1)C(=S)N,"InChI=1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)",HYKQYVSNFPWGKQ-UHFFFAOYSA-N,C6H6N2S,138.19,138.0251694,1.2,71,114,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetamide, N,N'-2,6-pyridinediylbis-",2/1/41,95139,N-(6-acetamido-2-pyridinyl)acetamide,CC(=O)NC1=NC(=CC=C1)NC(=O)C,"InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)",DVKNWDFYHWHRML-UHFFFAOYSA-N,C9H11N3O2,193.2,193.0851266,-0.1,71.1,208,0,2,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridineethanamine, N-methyl-, dihydrochloride",5579-84-0,68643,N-methyl-2-pyridin-2-ylethanamine;dihydrochloride,CNCCC1=CC=CC=N1.Cl.Cl,"InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H",XVDFMHARQUBJRE-UHFFFAOYSA-N,C8H14Cl2N2,209.11,208.0534038,,24.9,83,0,3,2,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, dimethyl 3,5,6-trichloro-2-pyridyl ester",5598-52-7,21805,"dimethyl (3,5,6-trichloro-2-pyridinyl) phosphate",COP(=O)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C7H7Cl3NO4P/c1-13-16(12,14-2)15-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",XCBOKUAJQWDYNI-UHFFFAOYSA-N,C7H7Cl3NO4P,306.5,304.917828,2.6,57.7,274,0,0,5,4,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxamide, N-hydroxy-",5657-61-4,71211,N-hydroxypyridine-3-carboxamide,C1=CC(=CN=C1)C(=O)NO,"InChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-4,10H,(H,8,9)",IYCHDNQCHLMLJZ-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.5,62.2,127,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, methyl 3-pyridyl, oxime",5973-83-1,22279,N-(1-pyridin-3-ylethylidene)hydroxylamine,CC(=NO)C1=CN=CC=C1,"InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3",MSRXORUOQNNOKN-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.7,45.5,134,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridinecarboxaldehyde, O-(3-methylbutyl)oxime",6267-20-5,9561245,(E)-N-(3-methylbutoxy)-1-pyridin-2-ylmethanimine,CC(C)CCO/N=C/C1=CC=CC=N1,"InChI=1S/C11H16N2O/c1-10(2)6-8-14-13-9-11-5-3-4-7-12-11/h3-5,7,9-10H,6,8H2,1-2H3/b13-9+",MZJMRIJVYKXBNB-UKTHLTGXSA-N,C11H16N2O,192.26,192.1262631,2.9,34.5,169,0,0,3,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxaldehyde, O-propyloxime",6267-23-8,9561247,(E)-N-propoxy-1-pyridin-3-ylmethanimine,CCCO/N=C/C1=CN=CC=C1,"InChI=1S/C9H12N2O/c1-2-6-12-11-8-9-4-3-5-10-7-9/h3-5,7-8H,2,6H2,1H3/b11-8+",QNBOLLYOPCWBRB-DHZHZOJOSA-N,C9H12N2O,164.2,164.094963,1.8,34.5,136,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxaldehyde, O-(3-methylbutyl)oxime",6267-33-0,9561243,(E)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine,CC(C)CCO/N=C/C1=CN=CC=C1,"InChI=1S/C11H16N2O/c1-10(2)5-7-14-13-9-11-4-3-6-12-8-11/h3-4,6,8-10H,5,7H2,1-2H3/b13-9+",CNGQUYBZXYJBMD-UKTHLTGXSA-N,C11H16N2O,192.26,192.1262631,2.6,34.5,169,0,0,3,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Pyridineethanol,6293-56-7,80515,2-pyridin-3-ylethanol,C1=CC(=CN=C1)CCO,"InChI=1S/C7H9NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4,6,9H,3,5H2",YPWSASPSYAWQRK-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.1,33.1,75,0,1,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1-(2-pyridyl)-",2/9/02,95910,1-pyridin-2-ylpropan-2-one,CC(=O)CC1=CC=CC=N1,"InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3",TZTXTIBZSSSFDI-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.6,30,122,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(2-(dimethylamino)ethyl)-",6304-27-4,80554,"N,N-dimethyl-2-pyridin-2-ylethanamine",CN(C)CCC1=CC=CC=N1,"InChI=1S/C9H14N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,7H,6,8H2,1-2H3",FXHJGPDCPMCUKW-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,0.8,16.1,102,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2,3,6-trichloro-",9/9/15,23016,"2,3,6-trichloropyridine",C1=CC(=NC(=C1Cl)Cl)Cl,InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H,GPAKJVMKNDXBHH-UHFFFAOYSA-N,C5H2Cl3N,182.43,180.925282,2.8,12.9,98,0,0,1,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 5-amino-2-methoxy-",6628-77-9,81121,6-methoxypyridin-3-amine,COC1=NC=C(C=C1)N,"InChI=1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3",UUVDJIWRSIJEBS-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,1,48.1,87,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinol, 2-chloro-",6636-78-8,81136,2-chloropyridin-3-ol,C1=CC(=C(N=C1)Cl)O,"InChI=1S/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H",RSOPTYAZDFSMTN-UHFFFAOYSA-N,C5H4ClNO,129.54,128.9981414,1.1,33.1,78,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridineacrylic acid, methyl ester",7340-34-3,5357688,methyl (E)-3-pyridin-4-ylprop-2-enoate,COC(=O)/C=C/C1=CC=NC=C1,"InChI=1S/C9H9NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h2-7H,1H3/b3-2+",LDVKAIRVYWBGHI-NSCUHMNNSA-N,C9H9NO2,163.17,163.0633285,1.1,39.2,171,0,0,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinamidine, hydrochloride",7356-60-7,202042,pyridine-3-carboximidamide;hydrochloride,C1=CC(=CN=C1)C(=N)N.Cl,"InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H",MKJPBOVLAZADQJ-UHFFFAOYSA-N,C6H8ClN3,157.6,157.040675,,62.8,111,0,3,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, (3-pyridyl)-",13114-65-3,12533262,pyridin-3-ylurea,C1=CC(=CN=C1)NC(=O)N,"InChI=1S/C6H7N3O/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)",VFZTXRZGHLQWFA-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,-0.2,68,126,0,2,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinamide, 2-propylthio-",14222-60-7,666418,2-propylpyridine-4-carbothioamide,CCCC1=NC=CC(=C1)C(=S)N,"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",VRDIULHPQTYCLN-UHFFFAOYSA-N,C9H12N2S,180.27,180.0721196,1.5,71,159,0,1,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Pyridinamine, 3,5-dichloro-2-(trichloromethyl)-",14321-05-2,139739,"3,5-dichloro-2-(trichloromethyl)pyridin-4-amine",C1=C(C(=C(C(=N1)C(Cl)(Cl)Cl)Cl)N)Cl,"InChI=1S/C6H3Cl5N2/c7-2-1-13-5(6(9,10)11)3(8)4(2)12/h1H,(H2,12,13)",WEYZLTAYNCBWFI-UHFFFAOYSA-N,C6H3Cl5N2,280.4,279.870936,3.1,38.9,182,0,1,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2,3,5-trichloro-",16063-70-0,27666,"2,3,5-trichloropyridine",C1=C(C=NC(=C1Cl)Cl)Cl,InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H,CNLIIAKAAMFCJG-UHFFFAOYSA-N,C5H2Cl3N,182.43,180.925282,3.1,12.9,98,0,0,1,0,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2,5-dichloro-",16110-09-1,27685,"2,5-dichloropyridine",C1=CC(=NC=C1Cl)Cl,InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H,GCTFDMFLLBCLPF-UHFFFAOYSA-N,C5H3Cl2N,147.99,146.9642545,2.4,12.9,76,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Pyridinethiol,16133-26-9,27691,pyridine-3-thiol,C1=CC(=CN=C1)S,"InChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H",FFWJHVGUAKWTKW-UHFFFAOYSA-N,C5H5NS,111.17,111.0142703,1.1,13.9,56,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-nitrosomethylamino-",16219-98-0,146270,N-methyl-N-pyridin-2-ylnitrous amide,CN(C1=CC=CC=N1)N=O,"InChI=1S/C6H7N3O/c1-9(8-10)6-4-2-3-5-7-6/h2-5H,1H3",WJDNMDMNPIKDCP-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,1.4,45.6,118,0,0,4,1,10,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-nitrosomethylamino-",16219-99-1,146271,N-methyl-N-pyridin-4-ylnitrous amide,CN(C1=CC=NC=C1)N=O,"InChI=1S/C6H7N3O/c1-9(8-10)6-2-4-7-5-3-6/h2-5H,1H3",CNXCLASNZDZCBC-UHFFFAOYSA-N,C6H7N3O,137.14,137.0589119,1,45.6,112,0,0,4,1,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isonicotinic acid, sodium salt",16887-79-9,23662338,sodium pyridine-4-carboxylate,C1=CN=CC=C1C(=O)[O-].[Na+],"InChI=1S/C6H5NO2.Na/c8-6(9)5-1-3-7-4-2-5;/h1-4H,(H,8,9);/q;+1/p-1",PVXCGWNPDFFPOV-UHFFFAOYSA-M,C6H4NNaO2,145.09,145.0139727,,53,112,0,0,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridine, 2-(2-hydrazinoethyl)-, dihydrochloride",17038-99-2,204818,2-pyridin-2-ylethylhydrazine;dihydrochloride,C1=CC=NC(=C1)CCNN.Cl.Cl,"InChI=1S/C7H11N3.2ClH/c8-10-6-4-7-3-1-2-5-9-7;;/h1-3,5,10H,4,6,8H2;2*1H",PKUXJGGRQMKJBB-UHFFFAOYSA-N,C7H13Cl2N3,210.1,209.0486528,,50.9,84,0,4,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, 1-acetyl-2-picolinoyl-",17433-31-7,28545,N'-acetylpyridine-2-carbohydrazide,CC(=O)NNC(=O)C1=CC=CC=N1,"InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,12)(H,11,13)",FDJAMXYLIRPRIS-UHFFFAOYSA-N,C8H9N3O2,179.18,179.0694765,-0.6,71.1,206,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Pyridinemethanethiol,17617-05-9,205225,pyridin-3-ylmethanethiol,C1=CC(=CN=C1)CS,"InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MBXKCLHOVPXMCJ-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,1,13.9,65,0,1,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(3-chloropropyl)-, hydrochloride",17944-57-9,205438,2-(3-chloropropyl)pyridine;hydrochloride,C1=CC=NC(=C1)CCCCl.Cl,"InChI=1S/C8H10ClN.ClH/c9-6-3-5-8-4-1-2-7-10-8;/h1-2,4,7H,3,5-6H2;1H",GSMCEIJCNPSBRP-UHFFFAOYSA-N,C8H11Cl2N,192.08,191.0268547,,12.9,85,0,1,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 4-(3-chloropropyl)-, hydrochloride",17944-59-1,205441,4-(3-chloropropyl)pyridine;hydrochloride,C1=CN=CC=C1CCCCl.Cl,"InChI=1S/C8H10ClN.ClH/c9-5-1-2-8-3-6-10-7-4-8;/h3-4,6-7H,1-2,5H2;1H",DLFKDPKALKZPSV-UHFFFAOYSA-N,C8H11Cl2N,192.08,191.0268547,,12.9,79,0,1,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(methylthio)-",18438-38-5,29076,2-methylsulfanylpyridine,CSC1=CC=CC=N1,"InChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3",VLQBSKLZRSUMTJ-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,1.7,38.2,65,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinic acid, 5-bromo-",20826-04-4,88707,5-bromopyridine-3-carboxylic acid,C1=C(C=NC=C1Br)C(=O)O,"InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)",FQIUCPGDKPXSLL-UHFFFAOYSA-N,C6H4BrNO2,202.01,200.94254,1.1,50.2,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-butyl-3-(2-pyridyl)-2-thio-",22136-33-0,3038252,1-butyl-3-pyridin-2-ylthiourea,CCCCNC(=S)NC1=CC=CC=N1,"InChI=1S/C10H15N3S/c1-2-3-7-12-10(14)13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3,(H2,11,12,13,14)",LXYIUAPDEIGKQI-UHFFFAOYSA-N,C10H15N3S,209.31,209.0986687,2.3,69,173,0,2,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinemethanol, 5-fluoro-",22620-32-2,152449,(5-fluoro-3-pyridinyl)methanol,C1=C(C=NC=C1F)CO,"InChI=1S/C6H6FNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2",GGGJYJXAFSEWNM-UHFFFAOYSA-N,C6H6FNO,127.12,127.043342,0.1,33.1,89,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-Pyridineacetamide, thio-",26414-86-8,3035163,2-pyridin-2-ylethanethioamide,C1=CC=NC(=C1)CC(=S)N,"InChI=1S/C7H8N2S/c8-7(10)5-6-3-1-2-4-9-6/h1-4H,5H2,(H2,8,10)",GRQAYQPAICYODT-UHFFFAOYSA-N,C7H8N2S,152.22,152.0408194,-0.1,71,125,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-, isooctyl ester",26952-20-5,18772488,"6-methylheptyl 4-amino-3,5,6-trichloropyridine-2-carboxylate",CC(C)CCCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl,"InChI=1S/C14H19Cl3N2O2/c1-8(2)6-4-3-5-7-21-14(20)12-9(15)11(18)10(16)13(17)19-12/h8H,3-7H2,1-2H3,(H2,18,19)",NGZWZIAGFHOSDS-UHFFFAOYSA-N,C14H19Cl3N2O2,353.7,352.051211,5.7,65.2,331,0,1,4,8,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Nicotinic acid, 5-hydroxy-",27828-71-3,34037,5-hydroxypyridine-3-carboxylic acid,C1=C(C=NC=C1O)C(=O)O,"InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)",ATTDCVLRGFEHEO-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,0,70.4,137,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinamide, 5-bromo-",28733-43-9,1808,5-bromopyridine-3-carboxamide,C1=C(C=NC=C1Br)C(=O)N,"InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)",YOQRXZIMSKLRCY-UHFFFAOYSA-N,C6H5BrN2O,201.02,199.95853,0.4,56,140,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-amino-, hydrochloride",32654-45-8,208632,pyridin-2-amine;hydrochloride,C1=CC=NC(=C1)N.Cl,"InChI=1S/C5H6N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H,(H2,6,7);1H",HAOKKJHTFUZWIM-UHFFFAOYSA-N,C5H7ClN2,130.57,130.0297759,,38.9,54,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridineacetic acid, ethyl ester",39931-77-6,96490,ethyl 2-pyridin-3-ylacetate,CCOC(=O)CC1=CN=CC=C1,"InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3",RPWXYCRIAGBAGY-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.6,39.2,147,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, 2-pyridylmethyl-, diethyl ester",39996-87-7,217993,2-(diethoxyphosphorylmethyl)pyridine,CCOP(=O)(CC1=CC=CC=N1)OCC,"InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)9-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3",LJIHMNONXSBZCU-UHFFFAOYSA-N,C10H16NO3P,229.21,229.0867804,0.7,48.4,213,0,0,4,6,15,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-amino-6-chloro-",45644-21-1,206246,6-chloropyridin-2-amine,C1=CC(=NC(=C1)Cl)N,"InChI=1S/C5H5ClN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)",OBYJTLDIQBWBHM-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,0.8,38.9,76,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 5-amino-2-ethoxy-",52025-34-0,3040301,6-ethoxypyridin-3-amine,CCOC1=NC=C(C=C1)N,"InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3",UXIPFCIFZLFXNC-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.8,48.1,97,0,1,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 5-amino-2-propoxy-",52025-35-1,3040302,6-propoxypyridin-3-amine,CCCOC1=NC=C(C=C1)N,"InChI=1S/C8H12N2O/c1-2-5-11-8-4-3-7(9)6-10-8/h3-4,6H,2,5,9H2,1H3",VVLPQYRZXQIATJ-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,1.4,48.1,108,0,1,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-chloro-5-(trifluoromethyl)-",52334-81-3,92342,2-chloro-5-(trifluoromethyl)pyridine,C1=CC(=NC=C1C(F)(F)F)Cl,"InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H",JFZJMSDDOOAOIV-UHFFFAOYSA-N,C6H3ClF3N,181.54,180.9906113,2.7,12.9,136,0,0,4,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2-Pyridineethanamine, N-methyl-, dimethanesulfonate",54856-23-4,198334,methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine,CNCCC1=CC=CC=N1.CS(=O)(=O)O.CS(=O)(=O)O,"InChI=1S/C8H12N2.2CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;2*1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;2*1H3,(H,2,3,4)",ZBJJDYGJCNTNTH-UHFFFAOYSA-N,C10H20N2O6S2,328.4,328.0762787,,150,176,0,3,8,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Pyridinemethylamine, alpha-methyl-",56129-55-6,2771688,1-pyridin-3-ylethanamine,CC(C1=CN=CC=C1)N,"InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3",IQVQNBXPYJGNEA-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.1,38.9,83,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3,5-Pyridinediamine, 2,6-dimethoxy-, hydrochloride (1:2)",56216-28-5,3017019,"2,6-dimethoxypyridine-3,5-diamine;dihydrochloride",COC1=C(C=C(C(=N1)OC)N)N.Cl.Cl,"InChI=1S/C7H11N3O2.2ClH/c1-11-6-4(8)3-5(9)7(10-6)12-2;;/h3H,8-9H2,1-2H3;2*1H",WHKIQFYYHZPIBH-UHFFFAOYSA-N,C7H13Cl2N3O2,242.1,241.0384821,,83.4,131,0,4,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
"Guanidine, 2-cyano-1-tert-pentyl-3-(3-pyridyl)-",60559-98-0,43345,1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine,CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1,"InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)",HKZNADVVGXKQDL-UHFFFAOYSA-N,C12H17N5,231.3,231.1483956,2.1,73.1,312,0,2,3,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-",60560-33-0,55329,"1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine;hydrate",CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1.O,"InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2",AFJCNBBHEVLGCZ-UHFFFAOYSA-N,C13H21N5O,263.34,263.1746103,,74.1,327,0,3,4,5,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-",62491-89-8,98714,1-(2-chloroethyl)-3-pyridin-2-ylurea,C1=CC=NC(=C1)NC(=O)NCCCl,"InChI=1S/C8H10ClN3O/c9-4-6-11-8(13)12-7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H2,10,11,12,13)",KRXWZDLRVLENPP-UHFFFAOYSA-N,C8H10ClN3O,199.64,199.0512396,1,54,165,0,2,2,3,13,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3-Pyridinol, 2-tert-butyl-",63688-34-6,173956,2-tert-butylpyridin-3-ol,CC(C)(C)C1=C(C=CC=N1)O,"InChI=1S/C9H13NO/c1-9(2,3)8-7(11)5-4-6-10-8/h4-6,11H,1-3H3",BRRWAHBFRAJUFB-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2.2,33.1,128,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((3,5-dichloro-2-pyridyl)oxy)-",68057-86-3,50030,"2-[(4,6-dichloro-2-pyridinyl)oxy]acetic acid",C1=C(C=C(N=C1OCC(=O)O)Cl)Cl,"InChI=1S/C7H5Cl2NO3/c8-4-1-5(9)10-6(2-4)13-3-7(11)12/h1-2H,3H2,(H,11,12)",MPSIVEQXRHPLDX-UHFFFAOYSA-N,C7H5Cl2NO3,222.02,220.9646484,2.3,59.4,191,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-",69377-81-7,50465,"2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid",C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)",MEFQWPUMEMWTJP-UHFFFAOYSA-N,C7H5Cl2FN2O3,255.03,253.9661256,1.8,85.4,246,0,2,6,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-((methylthio)methyl)-",69966-44-5,3053474,3-(methylsulfanylmethyl)pyridine,CSCC1=CN=CC=C1,"InChI=1S/C7H9NS/c1-9-6-7-3-2-4-8-5-7/h2-5H,6H2,1H3",DMBKVOYJOGETRJ-UHFFFAOYSA-N,C7H9NS,139.22,139.0455705,1.3,38.2,75,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridinecarboxaldehyde, O-propyloxime",71172-62-8,9561242,(E)-N-propoxy-1-pyridin-2-ylmethanimine,CCCO/N=C/C1=CC=CC=N1,"InChI=1S/C9H12N2O/c1-2-7-12-11-8-9-5-3-4-6-10-9/h3-6,8H,2,7H2,1H3/b11-8+",HNFSIKPTLWPOBD-DHZHZOJOSA-N,C9H12N2O,164.2,164.094963,2.1,34.5,136,0,0,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-chloro-N-(2-(2-pyridyl)ethyl)-",73664-37-6,52048,2-chloro-N-(2-pyridin-2-ylethyl)acetamide,C1=CC=NC(=C1)CCNC(=O)CCl,"InChI=1S/C9H11ClN2O/c10-7-9(13)12-6-4-8-3-1-2-5-11-8/h1-3,5H,4,6-7H2,(H,12,13)",ZQWQQARUJAXJPW-UHFFFAOYSA-N,C9H11ClN2O,198.65,198.0559907,0.7,42,164,0,1,2,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinic acid, 4-chloro-, hydrazide",73771-11-6,72711,4-chloropyridine-2-carbohydrazide,C1=CN=C(C=C1Cl)C(=O)NN,"InChI=1S/C6H6ClN3O/c7-4-1-2-9-5(3-4)6(11)10-8/h1-3H,8H2,(H,10,11)",JORBLRWFTPDRLZ-UHFFFAOYSA-N,C6H6ClN3O,171.58,171.0199395,0.3,68,153,0,2,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-ethoxy-2-nitro-",74037-50-6,52866,3-ethoxy-2-nitropyridine,CCOC1=C(N=CC=C1)[N+](=O)[O-],"InChI=1S/C7H8N2O3/c1-2-12-6-4-3-5-8-7(6)9(10)11/h3-5H,2H2,1H3",WBEVIQNYYGPESH-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,1.1,67.9,157,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"3-Pyridinebutanal, gamma-oxo-",76014-80-7,115084,4-oxo-4-pyridin-3-ylbutanal,C1=CC(=CN=C1)C(=O)CCC=O,"InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2",CFONOJVUTZAMCB-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,-0.2,47,168,0,0,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-",76014-81-8,104856,N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide,CN(CCCC(C1=CN=CC=C1)O)N=O,"InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3",OGRXKBUCZFFSTL-UHFFFAOYSA-N,C10H15N3O2,209.24,209.1164267,0.7,65.8,190,0,1,5,5,15,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxamide, 6-amino-N-hydroxy-",76706-59-7,3059529,6-amino-N-hydroxypyridine-3-carboxamide,C1=CC(=NC=C1C(=O)NO)N,"InChI=1S/C6H7N3O2/c7-5-2-1-4(3-8-5)6(10)9-11/h1-3,11H,(H2,7,8)(H,9,10)",VTGKSUIGZGSWGG-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,0.6,88.2,151,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride",86604-75-3,11694258,"2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride",CC1=CN=C(C(=C1OC)C)CCl.Cl,"InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H",LCJDHJOUOJSJGS-UHFFFAOYSA-N,C9H13Cl2NO,222.11,221.0374194,,22.1,142,0,1,2,2,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,3-Pyridinediamine, 6-methoxy-N(sup 2)-methyl-",90817-34-8,5743760,"6-methoxy-2-N-methylpyridine-2,3-diamine",CNC1=C(C=CC(=N1)OC)N,"InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10)",ATCBPVDYYNJHSG-UHFFFAOYSA-N,C7H11N3O,153.18,153.090212,0.8,60.2,120,0,2,4,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-Pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-, (+-)-",96513-83-6,227129,2-pyridin-2-ylacetamide,C1=CC=NC(=C1)CC(=O)N,"InChI=1S/C7H8N2O/c8-7(10)5-6-3-1-2-4-9-6/h1-4H,5H2,(H2,8,10)",UXVCEKRAZBZVSL-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,-0.7,56,125,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxamide, 5-hydroxy-",101512-21-4,354313,5-hydroxypyridine-3-carboxamide,C1=C(C=NC=C1O)C(=O)N,"InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)",UIJCDEKRKCCYIF-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.6,76.2,138,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Pyridinedicarboxylic acid, 5-ethyl-",102268-15-5,113606,"5-ethylpyridine-2,3-dicarboxylic acid",CCC1=CC(=C(N=C1)C(=O)O)C(=O)O,"InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)",MTAVBTGOXNGCJR-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,1,87.5,241,0,2,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (1-hydroxy-2-(3-pyridinyl)ethylidene)bis-",105462-24-6,5245,(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",IIDJRNMFWXDHID-UHFFFAOYSA-N,C7H11NO7P2,283.11,283.0010757,-3.1,148,339,0,5,8,4,17,,,0,0,0,1,0,0,0,1,0,0,0,1,0,1,0,0,1,0,1,1
"Phosphonic acid, (1-hydroxy-2-(3-pyridinyl)ethylidene)bis-, monosodium salt",115436-72-1,4194514,sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+],"InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1",DRFDPXKCEWYIAW-UHFFFAOYSA-M,C7H10NNaO7P2,305.09,304.9830199,,151,375,0,4,8,4,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanedioic acid, compd. with 2-ethyl-6-methyl-3-pyridinol (1:1)",127464-43-1,122298,butanedioic acid;2-ethyl-6-methylpyridin-3-ol,CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O,"InChI=1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)",IKMNOGHPKNFPTK-UHFFFAOYSA-N,C12H17NO5,255.27,255.1106726,,108,198,0,3,6,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hydrazinecarbothioamide, 2-((3-amino-2-pyridinyl)methylene)-",143621-35-6,9571836,[(E)-(3-amino-2-pyridinyl)methylideneamino]thiourea,C1=CC(=C(N=C1)/C=N/NC(=S)N)N,"InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+",XMYKNCNAZKMVQN-NYYWCZLTSA-N,C7H9N5S,195.25,195.0578665,-0.2,121,205,0,3,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridinecarboxylic acid, 4-amino-3,6-dichloro-",150114-71-9,213012,"4-amino-3,6-dichloropyridine-2-carboxylic acid",C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N,"InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)",NIXXQNOQHKNPEJ-UHFFFAOYSA-N,C6H4Cl2N2O2,207.01,205.9649828,1.6,76.2,190,0,2,4,1,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-Ethanediamine, N-((6-chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-, (E)-",150824-47-8,3034287,"(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine",CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC,"InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+",CFRPSFYHXJZSBI-DHZHZOJOSA-N,C11H15ClN4O2,270.71,270.0883534,2.4,74,306,0,1,5,5,18,>70.00 °C (>158.00 def F),,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxamide, N-(cyanomethyl)-4-(trifluoromethyl)-",158062-67-0,9834513,N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide,C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N,"InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)",RLQJEEJISHYWON-UHFFFAOYSA-N,C9H6F3N3O,229.16,229.0462963,0.8,65.8,307,0,1,6,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Platinum, amminedichloro(2-methylpyridine)-, (SP-4-3)-",181630-15-9,177358,azane;2-methylpyridine;platinum(2+);dichloride,CC1=CC=CC=N1.N.[Cl-].[Cl-].[Pt+2],"InChI=1S/C6H7N.2ClH.H3N.Pt/c1-6-4-2-3-5-7-6;;;;/h2-5H,1H3;2*1H;1H3;/q;;;;+2/p-2",IIMIOEBMYPRQGU-UHFFFAOYSA-L,C6H10Cl2N2Pt,376.14,374.986898,,13.9,52,0,1,4,0,11,,,0,0,0,0,0,1,0,0,0,0,1,1,0,0,1,0,0,1,0,0
"Cyanamide, N-(methyl(oxido)(1-(6-(trifluoromethyl)-3-pyridinyl)ethyl)-lambda(sup 6)-sulfanylidene)-",946578-00-3,16723172,[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfanylidene]cyanamide,CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C,"InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3",ZVQOOHYFBIDMTQ-UHFFFAOYSA-N,C10H10F3N3OS,277.27,277.0496676,2.2,74.5,459,0,0,7,2,18,,167.7 °C (decomp) (99.7% purity),1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinamide, 6-fluoro-",,348575,6-fluoropyridine-3-carboxamide,C1=CC(=NC=C1C(=O)N)F,"InChI=1S/C6H5FN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)",PGBXHSHENWASTH-UHFFFAOYSA-N,C6H5FN2O,140.11,140.038591,1.5,56,140,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridineacetamide, 6-butoxy-",,564767,2-pyridin-3-ylacetamide,C1=CC(=CN=C1)CC(=O)N,"InChI=1S/C7H8N2O/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10)",YDHIMEXEGOCNHU-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,-0.7,56,125,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridineacrylic acid, 1,4-piperazinylenediethylene ester",,5356626,(E)-3-pyridin-2-ylprop-2-enoic acid,C1=CC=NC(=C1)/C=C/C(=O)O,"InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+",LKDFTXDJKHGCAC-SNAWJCMRSA-N,C8H7NO2,149.15,149.0476785,0.8,50.2,165,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridineacrylic acid, 1,4-piperazinylenediethylene ester",,736782,(E)-3-pyridin-4-ylprop-2-enoic acid,C1=CN=CC=C1/C=C/C(=O)O,"InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+",SSAYTINUCCRGDR-OWOJBTEDSA-N,C8H7NO2,149.15,149.0476785,0.8,50.2,159,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 5-amino-2-isobutoxy-",,3031383,6-(2-methylpropoxy)pyridin-3-amine,CC(C)COC1=NC=C(C=C1)N,"InChI=1S/C9H14N2O/c1-7(2)6-12-9-4-3-8(10)5-11-9/h3-5,7H,6,10H2,1-2H3",GEAQZVYOBYEUPB-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,1.8,48.1,128,0,1,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridineethanol, alpha-methyl-",,578865,1-pyridin-2-ylpropan-2-ol,CC(CC1=CC=CC=N1)O,"InChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3",GAMOMPUVNAWKHH-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.9,33.1,95,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinepropionic acid, beta-hydroxy-alpha-phenyl-, methyl ester, hydrochloride",,233243,3-pyridin-4-ylpropanoic acid,C1=CN=CC=C1CCC(=O)O,"InChI=1S/C8H9NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,1-2H2,(H,10,11)",WSXGQYDHJZKQQB-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.4,50.2,130,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Pyridinepropionic acid, 1,4-piperazinediyldiethylene ester",,259624,3-pyridin-3-ylpropanoic acid,C1=CC(=CN=C1)CCC(=O)O,"InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)",WDGXIUUWINKTGP-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.4,50.2,136,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinesulfonamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-",,232710,pyridine-3-sulfonamide,C1=CC(=CN=C1)S(=O)(=O)N,"InChI=1S/C5H6N2O2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)",NKFLEFWUYAUDJV-UHFFFAOYSA-N,C5H6N2O2S,158.18,158.0149986,-0.6,81.4,194,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENESULFONIC ACID, BIS(1-METHYLETHYL)-, COMPD. WITH 1-BUTANAMINE (1:1)",151911-63-6,44153178,"butan-1-amine;2,3-di(propan-2-yl)naphthalene-1-sulfonic acid",CCCCN.CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)O,"InChI=1S/C16H20O3S.C4H11N/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;1-2-3-4-5/h5-11H,1-4H3,(H,17,18,19);2-5H2,1H3",CGVVALGPEWKFJS-UHFFFAOYSA-N,C20H31NO3S,365.5,365.202465,,88.8,435,0,2,4,5,25,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-Ethynylnaphthalene,015727-65-8,123357,1-ethynylnaphthalene,C#CC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H",MCZUXEWWARACSP-UHFFFAOYSA-N,C12H8,152.19,152.0626003,3.8,0,195,0,0,0,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-NITRONAPHTHALENE,000086-57-7,6849,1-nitronaphthalene,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,RJKGJBPXVHTNJL-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,3.2,45.8,200,0,0,2,0,13,"327 °F (NTP, 1992)","579 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,1,1,1,0,1,0,0,0,0,0,0,1,0,0,1
NAPHTHALENE-D8,001146-65-2,92148,"1,2,3,4,5,6,7,8-octadeuterionaphthalene",[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D",UFWIBTONFRDIAS-PGRXLJNUSA-N,C10H8,136.22,136.1128142,3.3,0,80,0,0,0,0,10,,,1,0,0,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,8-DINITRONAPHTHALENE",000602-38-0,11764,"1,8-dinitronaphthalene",C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CC=C2)[N+](=O)[O-],InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,AVCSMMMOCOTIHF-UHFFFAOYSA-N,C10H6N2O4,218.17,218.0327567,2.5,91.6,268,0,0,4,0,16,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
1-DIAZO-2-NAPHTHOL-4-SULFONIC ACID,000887-76-3,101893,4-diazonio-3-hydroxynaphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC(=C2[N+]#N)O)S(=O)(=O)[O-],"InChI=1S/C10H6N2O4S/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16/h1-5H,(H-,13,14,15,16)",QHIBNGIZPPHJAT-UHFFFAOYSA-N,C10H6N2O4S,250.23,250.0048279,2.7,114,422,0,1,5,0,17,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,0
"1-NAPHTHALENESULFONYL CHLORIDE, 6-DIAZO-5,6-DIHYDRO-5-OXO-",003770-97-6,107462,5-chlorosulfonyl-2-diazonionaphthalen-1-olate,C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)Cl,"InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-3-1-2-7-6(9)4-5-8(13-12)10(7)14/h1-5H",DZQQBMOSBPOYFX-UHFFFAOYSA-N,C10H5ClN2O3S,268.68,267.9709409,4.1,93.7,438,0,0,4,1,17,,,0,0,0,1,0,0,1,1,0,1,0,0,1,0,0,1,1,1,0,0
"1-NAPHTHALENESULFONIC ACID, 3-DIAZO-3,4-DIHYDRO-4-OXO-, SODIUM SALT",064173-96-2,174024,sodium 3-diazonio-4-oxidonaphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC(=C2[O-])[N+]#N)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H-,13,14,15,16);/q;+1/p-1",FQWQNAFHLYNZMF-UHFFFAOYSA-M,C10H5N2NaO4S,272.21,271.9867721,,117,422,0,0,5,0,18,,,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,1,0,0
1-(BROMOMETHYL)NAPHTHALENE,003163-27-7,137844,1-(bromomethyl)naphthalene,C1=CC=C2C(=C1)C=CC=C2CBr,"InChI=1S/C11H9Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2",RZJGKPNCYQZFGR-UHFFFAOYSA-N,C11H9Br,221.09,219.98876,3.8,0,144,0,0,0,1,12,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
1-NAPHTHALDEHYDE,000066-77-3,6195,naphthalene-1-carbaldehyde,C1=CC=C2C(=C1)C=CC=C2C=O,InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,SQAINHDHICKHLX-UHFFFAOYSA-N,C11H8O,156.18,156.0575149,3.1,17.1,164,0,0,1,1,12,,,0,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
2-NAPHTHALENECARBONYL CHLORIDE,002243-83-6,75246,naphthalene-2-carbonyl chloride,C1=CC=C2C=C(C=CC2=C1)C(=O)Cl,InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,XNLBCXGRQWUJLU-UHFFFAOYSA-N,C11H7ClO,190.62,190.0185425,4.3,17.1,202,0,0,1,1,13,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, DIBUTYL-",025377-92-8,117461,"2,4-dibutylnaphthalene-1-sulfonic acid",CCCCC1=CC(=C(C2=CC=CC=C21)S(=O)(=O)O)CCCC,"InChI=1S/C18H24O3S/c1-3-5-9-14-13-15(10-6-4-2)18(22(19,20)21)17-12-8-7-11-16(14)17/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,21)",JCRNSBKSAQHNIN-UHFFFAOYSA-N,C18H24O3S,320.4,320.1446158,5.7,62.8,426,0,1,3,7,22,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
ALPHA-NAPHTHYLTHIOUREA,000086-88-4,736366,naphthalen-1-ylthiourea,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,"InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)",PIVQQUNOTICCSA-UHFFFAOYSA-N,C11H10N2S,202.28,202.0564695,1.7,70.1,217,0,2,1,1,14,"May burn but will not ignite readily (EPA, 1998)","Decomposes (NIOSH, 2024)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NAPHTHALENECARBONITRILE,000613-46-7,11944,naphthalene-2-carbonitrile,C1=CC=C2C=C(C=CC2=C1)C#N,InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,AZKDTTQQTKDXLH-UHFFFAOYSA-N,C11H7N,153.18,153.0578492,3.2,23.8,200,0,0,1,0,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-1-(1-NAPHTHYL)ETHYLAMINE,042882-31-5,98089,1-naphthalen-1-ylethanamine,CC(C1=CC=CC2=CC=CC=C21)N,"InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3",RTCUCQWIICFPOD-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,2.8,26,167,0,1,1,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHYL ISOTHIOCYANATE,000551-06-4,11080,1-isothiocyanatonaphthalene,C1=CC=C2C(=C1)C=CC=C2N=C=S,InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,JBDOSUUXMYMWQH-UHFFFAOYSA-N,C11H7NS,185.25,185.0299204,4.3,44.5,220,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
(S)-(-)-1-(1-NAPHTHYL)ETHYLAMINE,010420-89-0,66325,(1S)-1-naphthalen-1-ylethanamine,C[C@@H](C1=CC=CC2=CC=CC=C21)N,"InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1",RTCUCQWIICFPOD-VIFPVBQESA-N,C12H13N,171.24,171.1047994,2.8,26,167,0,1,1,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
R-(+)-1-(1-NAPHTHYL)ETHYLAMINE,003886-70-2,2724264,(1R)-1-naphthalen-1-ylethanamine,C[C@H](C1=CC=CC2=CC=CC=C21)N,"InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1",RTCUCQWIICFPOD-SECBINFHSA-N,C12H13N,171.24,171.1047994,2.8,26,167,0,1,1,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
NAPROXEN,022204-53-1,156391,(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,230.26,230.0942943,3.3,46.5,277,0,1,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
DANSYL-L-ARGININE HYDROCHLORIDE,028217-22-3,13734230,(2S)-5-(diaminomethylideneamino)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O,"InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1",HRBPBWKDJGGGCX-AWEZNQCLSA-N,C18H25N5O4S,407.5,407.1627255,1.1,159,657,0,4,7,9,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-(1-NAPHTHALENYLOXY)-",013949-67-2,85662,2-naphthalen-1-yloxypropanoic acid,CC(C(=O)O)OC1=CC=CC2=CC=CC=C21,"InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)",KTAVXDDWEGVLRN-UHFFFAOYSA-N,C13H12O3,216.23,216.0786442,2.7,46.5,252,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-CHLOROMETHYLNAPHTHALENE,000086-52-2,6845,1-(chloromethyl)naphthalene,C1=CC=C2C(=C1)C=CC=C2CCl,"InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2",XMWGTKZEDLCVIG-UHFFFAOYSA-N,C11H9Cl,176.64,176.039278,3.7,0,144,0,0,0,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-NAPHTHALENEDIOL",000571-60-8,11305,"naphthalene-1,4-diol",C1=CC=C2C(=C1)C(=CC=C2O)O,"InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H",PCILLCXFKWDRMK-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.8,40.5,140,0,2,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HYDROXY-2-NAPHTHOIC ACID,000086-48-6,6844,1-hydroxynaphthalene-2-carboxylic acid,C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O,"InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)",SJJCQDRGABAVBB-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.6,57.5,227,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHALENEACETIC ACID,000086-87-3,6862,2-naphthalen-1-ylacetic acid,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",PRPINYUDVPFIRX-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.7,37.3,212,0,1,2,2,14,,Decomposes,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHALENESULFONIC ACID,000120-18-3,8420,naphthalene-2-sulfonic acid,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O,"InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",KVBGVZZKJNLNJU-UHFFFAOYSA-N,C10H8O3S,208.24,208.0194153,0.6,62.8,291,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-CYANONAPHTHALENE,000086-53-3,6846,naphthalene-1-carbonitrile,C1=CC=C2C(=C1)C=CC=C2C#N,InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,YJMNOKOLADGBKA-UHFFFAOYSA-N,C11H7N,153.18,153.0578492,3.3,23.8,200,0,0,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYNAPHTHALENE",000092-44-4,7091,"naphthalene-2,3-diol",C1=CC=C2C=C(C(=CC2=C1)O)O,"InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H",JRNGUTKWMSBIBF-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.5,40.5,140,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIMETHYLNAPHTHALENE",000571-58-4,11304,"1,4-dimethylnaphthalene",CC1=CC=C(C2=CC=CC=C12)C,"InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3",APQSQLNWAIULLK-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,132,0,0,0,0,12,,,1,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-METHOXY-2-NAPHTHYLAMINE,002764-95-6,151041,4-methoxynaphthalen-2-amine,COC1=CC(=CC2=CC=CC=C21)N,"InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3",SFKZPTYRENGBTJ-UHFFFAOYSA-N,C11H11NO,173.21,173.084064,2.9,35.3,171,0,1,2,1,13,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-HYDROXY-2-NAPHTHOIC ACID,000092-70-6,7104,3-hydroxynaphthalene-2-carboxylic acid,C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O,"InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)",ALKYHXVLJMQRLQ-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.9,57.5,227,0,2,3,1,14,>150 °C c.c.,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
NAPHTHALENEACETAMIDE,000086-86-2,6861,2-naphthalen-1-ylacetamide,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,"InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)",XFNJVKMNNVCYEK-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.1,43.1,214,0,1,1,2,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
NAPROXEN SODIUM,026159-34-2,23681059,sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+],"InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1",CDBRNDSHEYLDJV-FVGYRXGTSA-M,C14H13NaO3,252.24,252.0762386,,49.4,282,0,0,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
6-HYDROXY-2-NAPHTHALENECARBOXYLIC ACID,016712-64-4,85557,6-hydroxynaphthalene-2-carboxylic acid,C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O,"InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)",KAUQJMHLAFIZDU-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.9,57.5,227,0,2,3,1,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1-NAPHTHALENEACETIC ACID, SODIUM SALT",000061-31-4,23694671,sodium 2-naphthalen-1-ylacetate,C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+],"InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1",CJUUXVFWKYRHAR-UHFFFAOYSA-M,C12H9NaO2,208.19,208.0500238,,40.1,218,0,0,2,2,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENAMINE, N-ETHYL-",000118-44-5,67043,N-ethylnaphthalen-1-amine,CCNC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3",KDFFXYVOTKKBDI-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.2,12,155,0,1,1,2,13,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, TRICHLORO-",001321-65-9,524223,"1,2,3-trichloronaphthalene",C1=CC=C2C(=C1)C=C(C(=C2Cl)Cl)Cl,InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,QEPTXDCPBXMWJC-UHFFFAOYSA-N,C10H5Cl3,231.5,229.945683,5.1,0,183,0,0,0,0,13,"392 °F (NIOSH, 2024)","579 to 669 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"NAPHTHALENE, 1,4-DICHLORO-",001825-31-6,15769,"1,4-dichloronaphthalene",C1=CC=C2C(=C1)C(=CC=C2Cl)Cl,InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,JDPKCYMVSKDOGS-UHFFFAOYSA-N,C10H6Cl2,197.06,195.9846556,4.7,0,140,0,0,0,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, 1,8-DICHLORO-",002050-74-0,16311,"1,8-dichloronaphthalene",C1=CC2=C(C(=C1)Cl)C(=CC=C2)Cl,InChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,ADRYPAGQXFMVFP-UHFFFAOYSA-N,C10H6Cl2,197.06,195.9846556,4.2,0,142,0,0,0,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 2,6-DICHLORO-",002065-70-5,16366,"2,6-dichloronaphthalene",C1=CC2=C(C=CC(=C2)Cl)C=C1Cl,InChI=1S/C10H6Cl2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H,YCFUHBHONRJFHI-UHFFFAOYSA-N,C10H6Cl2,197.06,195.9846556,4.8,0,140,0,0,0,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 1,5-BIS(1-METHYLETHYL)-",027351-96-8,117971,"1,5-di(propan-2-yl)naphthalene",CC(C)C1=CC=CC2=C1C=CC=C2C(C)C,"InChI=1S/C16H20/c1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16/h5-12H,1-4H3",GFZWCYSEPXDDRI-UHFFFAOYSA-N,C16H20,212.33,212.1565006,5.9,0,192,0,0,0,2,16,"140 °C (open cup) /2,6-Diisopropylnaphthalene/",290-299 °C,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENECARBONYL CHLORIDE, 2-ETHOXY-",055150-29-3,108679,2-ethoxynaphthalene-1-carbonyl chloride,CCOC1=C(C2=CC=CC=C2C=C1)C(=O)Cl,"InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3",ZRVFFIXOCFUHDA-UHFFFAOYSA-N,C13H11ClO2,234.68,234.0447573,4,26.3,254,0,0,2,3,16,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-BROMONAPHTHALENE,000090-11-9,7001,1-bromonaphthalene,C1=CC=C2C(=C1)C=CC=C2Br,InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,DLKQHBOKULLWDQ-UHFFFAOYSA-N,C10H7Br,207.07,205.97311,4.3,0,133,0,0,0,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BETA-BROMONAPHTHALENE,000580-13-2,11372,2-bromonaphthalene,C1=CC=C2C=C(C=CC2=C1)Br,InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,APSMUYYLXZULMS-UHFFFAOYSA-N,C10H7Br,207.07,205.97311,4.2,0,133,0,0,0,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-1-NAPHTHYLAMINE",000086-56-6,6848,"N,N-dimethylnaphthalen-1-amine",CN(C)C1=CC=CC2=CC=CC=C21,"InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3",AJUXDFHPVZQOGF-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.5,3.2,165,0,0,1,1,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL BETA-NAPHTHYL KETONE,000093-08-3,7122,1-naphthalen-2-ylethanone,CC(=O)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3",XSAYZAUNJMRRIR-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,3.2,17.1,197,0,0,1,1,13,,300.00 to 301.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-NITROSO-2-NAPHTHOL,000131-91-9,8580,1-nitrosonaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2N=O)O,"InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H",YXAOOTNFFAQIPZ-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,2.3,49.7,195,0,1,3,0,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHYLAMINE,000134-32-7,8640,naphthalen-1-amine,C1=CC=C2C(=C1)C=CC=C2N,"InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2",RUFPHBVGCFYCNW-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.2,26,133,0,1,1,0,11,"315 °F (NTP, 1992)","574 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDIOL",000083-56-7,6749,"naphthalene-1,5-diol",C1=CC2=C(C=CC=C2O)C(=C1)O,"InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H",BOKGTLAJQHTOKE-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.8,40.5,140,0,2,2,0,12,252 °C,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
1'-ACETONAPHTHONE,000941-98-0,13663,1-naphthalen-1-ylethanone,CC(=O)C1=CC=CC2=CC=CC=C21,"InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3",QQLIGMASAVJVON-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,2.9,17.1,197,0,0,1,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-NAPHTHALENETHIOL,000091-60-1,7058,naphthalene-2-thiol,C1=CC=C2C=C(C=CC2=C1)S,"InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",RFCQDOVPMUSZMN-UHFFFAOYSA-N,C10H8S,160.24,160.0346714,3.7,1,133,0,1,1,0,11,,286.00 to 288.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NAPHTHALENETHIOL,000529-36-2,68259,naphthalene-1-thiol,C1=CC=C2C(=C1)C=CC=C2S,"InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",SEXOVMIIVBKGGM-UHFFFAOYSA-N,C10H8S,160.24,160.0346714,3.8,1,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-NITROSO-2-NAPHTHOL-3,6-DISULFONIC ACID DISODIUM SALT",000525-05-3,10672,"disodium;3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate",C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)N=O.[Na+].[Na+],"InChI=1S/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2",DMKMTGULLYISBH-UHFFFAOYSA-L,C10H5NNa2O8S2,377.3,376.925197,,181,577,0,1,9,0,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLNAPHTHALENE",000581-40-8,11386,"2,3-dimethylnaphthalene",CC1=CC2=CC=CC=C2C=C1C,"InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3",WWGUMAYGTYQSGA-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,132,0,0,0,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DIAMINONAPHTHALENE",000479-27-6,68067,"naphthalene-1,8-diamine",C1=CC2=C(C(=C1)N)C(=CC=C2)N,"InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2",YFOOEYJGMMJJLS-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.1,52,142,0,2,2,0,12,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-NAPHTHALDEHYDE,000066-99-9,6201,naphthalene-2-carbaldehyde,C1=CC=C2C=C(C=CC2=C1)C=O,InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,PJKVFARRVXDXAD-UHFFFAOYSA-N,C11H8O,156.18,156.0575149,3,17.1,164,0,0,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRAMETHYL-1,8-NAPHTHALENEDIAMINE",020734-58-1,88675,"1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine",CN(C)C1=CC=CC2=C1C(=CC=C2)N(C)C,"InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3",GJFNRSDCSTVPCJ-UHFFFAOYSA-N,C14H18N2,214.31,214.1469986,3.4,6.5,203,0,0,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-DIMETHYLAMINONAPHTHALENE-1-(N-(2-AMINOETHYL))SULFONAMIDE,035060-08-3,161851,N-(2-aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN,"InChI=1S/C14H19N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,9-10,15H2,1-2H3",CSJXLKVNKAXFSI-UHFFFAOYSA-N,C14H19N3O2S,293.39,293.119798,1.5,83.8,405,0,2,5,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5-TRIMETHYLNAPHTHALENE",002245-38-7,16732,"1,6,7-trimethylnaphthalene",CC1=C2C=C(C(=CC2=CC=C1)C)C,"InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3",JBXULKRNHAQMAS-UHFFFAOYSA-N,C13H14,170.25,170.1095504,4.8,0,173,0,0,0,0,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NAPHTHYLACETONITRILE,000132-75-2,8596,2-naphthalen-1-ylacetonitrile,C1=CC=C2C(=C1)C=CC=C2CC#N,"InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2",OQRMWUNUKVUHQO-UHFFFAOYSA-N,C12H9N,167.21,167.0734993,2.9,23.8,212,0,0,1,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHYLACETONITRILE,007498-57-9,82008,2-naphthalen-2-ylacetonitrile,C1=CC=C2C=C(C=CC2=C1)CC#N,"InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2",LPCWDVLDJVZIHA-UHFFFAOYSA-N,C12H9N,167.21,167.0734993,2.8,23.8,212,0,0,1,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ETHOXYNAPHTHALENE,005328-01-8,21403,1-ethoxynaphthalene,CCOC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3",APWZAIZNWQFZBK-UHFFFAOYSA-N,C12H12O,172.22,172.088815,4,9.2,155,0,0,1,2,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-1-NITRONAPHTHALENE,000881-03-8,13432,2-methyl-1-nitronaphthalene,CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-],"InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3",IZNWACYOILBFEG-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,3.4,45.8,224,0,0,2,0,14,,"370 °F at 20 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHALENEETHANOL,001485-07-0,73877,2-naphthalen-2-ylethanol,C1=CC=C2C=C(C=CC2=C1)CCO,"InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2",VCZANYLMPFRUHG-UHFFFAOYSA-N,C12H12O,172.22,172.088815,3.2,20.2,155,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-((2-AMINOETHYL)AMINO)NAPHTHALENE-1-SULFONIC ACID, SODIUM SALT",050402-56-7,92329,5-(2-aminoethylamino)naphthalene-1-sulfonic acid,C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCN,"InChI=1S/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)",SJQRQOKXQKVJGJ-UHFFFAOYSA-N,C12H14N2O3S,266.32,266.0725135,-1.3,101,366,0,3,5,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
(2-NAPHTHOXY)ACETIC ACID,000120-23-0,8422,2-naphthalen-2-yloxyacetic acid,C1=CC=C2C=C(C=CC2=C1)OCC(=O)O,"InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",RZCJYMOBWVJQGV-UHFFFAOYSA-N,C12H10O3,202.21,202.0629942,2.5,46.5,227,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DI-TERT-BUTYLNAPHTHALENE",003905-64-4,77509,"2,6-ditert-butylnaphthalene",CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)(C)C,"InChI=1S/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3",TZGXZNWUOXLMFL-UHFFFAOYSA-N,C18H24,240.4,240.1878008,6.9,0,245,0,0,0,2,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIAMINONAPHTHALENE",000771-97-1,69872,"naphthalene-2,3-diamine",C1=CC=C2C=C(C(=CC2=C1)N)N,"InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2",XTBLDMQMUSHDEN-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.9,52,140,0,2,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINO-2-NAPHTHOL HYDROCHLORIDE,001198-27-2,518469,1-aminonaphthalen-2-ol;hydrochloride,C1=CC=C2C(=C1)C=CC(=C2N)O.Cl,"InChI=1S/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H",DEKREBCFNLUULC-UHFFFAOYSA-N,C10H10ClNO,195.64,195.0450916,,46.3,160,0,3,2,0,13,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPRANOLOL HYDROCHLORIDE,000318-98-9,62882,1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,"InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H",ZMRUPTIKESYGQW-UHFFFAOYSA-N,C16H22ClNO2,295.8,295.1339066,,41.5,257,0,3,3,6,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINO-2-NAPHTHOIC ACID,005959-52-4,22244,3-aminonaphthalene-2-carboxylic acid,C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N,"InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)",XFXOLBNQYFRSLQ-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,2.6,63.3,229,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(6-methoxy-2-naphthalenyl)-2-Butanone,042924-53-8,4409,4-(6-methoxynaphthalen-2-yl)butan-2-one,CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",BLXXJMDCKKHMKV-UHFFFAOYSA-N,C15H16O2,228.29,228.1150297,3.1,26.3,262,0,0,2,4,17,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"2-NAPHTHOL-1,3,4,5,6,7,8-D7",078832-54-9,16213383,"1,3,4,5,6,7,8-heptadeuterionaphthalen-2-ol",[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])O)[2H])[2H])[2H],"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1D,2D,3D,4D,5D,6D,7D",JWAZRIHNYRIHIV-GSNKEKJESA-N,C10H8O,151.21,151.1014521,2.7,20.2,133,0,1,1,0,11,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPRANOLOL-D7,344298-99-3,49849705,"1-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol",[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2OCC(CNC(C)C)O)[2H])[2H])[2H])[2H])[2H],"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D",AQHHHDLHHXJYJD-MIBSYSDMSA-N,C16H21NO2,266.39,266.2011661,3,41.5,257,0,2,3,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-(2-HYDROXY-3-(NAPHTHYLOXY)PROPYL)ISOPROPYLAMMONIUM CHLORIDE,004199-10-4,165193,(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride,CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O.Cl,"InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m0./s1",ZMRUPTIKESYGQW-UQKRIMTDSA-N,C16H22ClNO2,295.8,295.1339066,,41.5,257,0,3,3,6,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEXPROPANOLOL HYDROCHLORIDE,013071-11-9,66366,(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride,CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O.Cl,"InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m1./s1",ZMRUPTIKESYGQW-PFEQFJNWSA-N,C16H22ClNO2,295.8,295.1339066,,41.5,257,0,3,3,6,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BROMO-2-NAPHTHOL,000573-97-7,11316,1-bromonaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2Br)O,"InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H",FQJZPYXGPYJJIH-UHFFFAOYSA-N,C10H7BrO,223.07,221.96803,3,20.2,160,0,1,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(2-HYDROXYETHYL)-",000092-80-8,66722,3-hydroxy-N-(2-hydroxyethyl)naphthalene-2-carboxamide,C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCO)O,"InChI=1S/C13H13NO3/c15-6-5-14-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,15-16H,5-6H2,(H,14,17)",VYHNSPUVKZPCDZ-UHFFFAOYSA-N,C13H13NO3,231.25,231.0895433,2,69.6,269,0,3,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, (2-NAPHTHALENYLTHIO)-",000093-21-0,66728,2-naphthalen-2-ylsulfanylacetic acid,C1=CC=C2C=C(C=CC2=C1)SCC(=O)O,"InChI=1S/C12H10O2S/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",VMZMOCBDKZHRGU-UHFFFAOYSA-N,C12H10O2S,218.27,218.0401507,3.3,62.6,230,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-NAPHTHALENEDISULFONIC ACID, 6-AMINO-",000118-33-2,8356,"6-aminonaphthalene-1,3-disulfonic acid",C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",KZCSUEYBKAPKNH-UHFFFAOYSA-N,C10H9NO6S2,303.3,302.9871294,0,152,531,0,3,7,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPRANOLOL,000525-66-6,4946,1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",AQHHHDLHHXJYJD-UHFFFAOYSA-N,C16H21NO2,259.34,259.1572289,3,41.5,257,0,2,3,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENAMINE, HYDROCHLORIDE",000552-46-5,11094,naphthalen-1-amine;hydrochloride,C1=CC=C2C(=C1)C=CC=C2N.Cl,"InChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H",FOKKJVHTXPJHEN-UHFFFAOYSA-N,C10H10ClN,179.64,179.050177,,26,133,0,2,1,0,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-1-NAPHTHALENYL-",000575-36-0,68461,N-naphthalen-1-ylacetamide,CC(=O)NC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)",OKQIEBVRUGLWOR-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,1.6,29.1,214,0,1,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, PENTACHLORO-",001321-64-8,114878,"1,2,3,4,5-pentachloronaphthalene",C1=CC2=C(C(=C1)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C10H3Cl5/c11-5-3-1-2-4-6(5)8(13)10(15)9(14)7(4)12/h1-3H,JRZKNHITLINYHV-UHFFFAOYSA-N,C10H3Cl5,300.4,299.864788,6.4,0,234,0,0,0,0,15,"230 °C, (OPEN CUP)","636 °F at 760 mmHg (NIOSH, 2024)",1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 4,7-DIBROMO-3-HYDROXY-",001779-10-8,74502,"4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acid",C1=CC2=C(C(=C(C=C2C=C1Br)C(=O)O)O)Br,"InChI=1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)",WNMKUIQCIRAXBN-UHFFFAOYSA-N,C11H6Br2O3,345.97,345.86632,4.3,57.5,284,0,2,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENEACETIC ACID, ETHYL ESTER",002122-70-5,62428,ethyl 2-naphthalen-1-ylacetate,CCOC(=O)CC1=CC=CC2=CC=CC=C21,"InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3",XIDPSKQLXKCVQN-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,3.4,26.3,237,0,0,2,4,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENECARBOXYLIC ACID, 2-ETHOXY-",002224-00-2,75210,2-ethoxynaphthalene-1-carboxylic acid,CCOC1=C(C2=CC=CC=C2C=C1)C(=O)O,"InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)",MYFBSSDLYGWAHH-UHFFFAOYSA-N,C13H12O3,216.23,216.0786442,3,46.5,252,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, 1-NAPHTHALENYL-, MONOHYDROCHLORIDE",002243-56-3,519949,naphthalen-1-ylhydrazine;hydrochloride,C1=CC=C2C(=C1)C=CC=C2NN.Cl,"InChI=1S/C10H10N2.ClH/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,12H,11H2;1H",FYSSYOCJFZSKNW-UHFFFAOYSA-N,C10H11ClN2,194.66,194.0610761,,38.1,147,0,3,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(1-NAPHTHALENYLAMINO)-",002933-59-7,76237,2-(naphthalen-1-ylamino)ethanol,C1=CC=C2C(=C1)C=CC=C2NCCO,"InChI=1S/C12H13NO/c14-9-8-13-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2",HLJIIZLYKMQFSS-UHFFFAOYSA-N,C12H13NO,187.24,187.099714,2.2,32.3,172,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, 4-HYDROXY-3-NITROSO-",003682-32-4,77257,4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)O,"InChI=1S/C10H7NO5S/c12-10-7-4-2-1-3-6(7)9(17(14,15)16)5-8(10)11-13/h1-5,12H,(H,14,15,16)",GASPSNIEUBWWJU-UHFFFAOYSA-N,C10H7NO5S,253.23,253.0044935,1.5,112,390,0,2,6,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"ETHANETHIOAMIDE, N-1-NAPHTHALENYL-",010319-80-9,3034211,N-naphthalen-1-ylethanethioamide,CC(=S)NC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H11NS/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)",VCHHDIBIIGAJQB-UHFFFAOYSA-N,C12H11NS,201.29,201.0612205,2.2,44.1,214,0,1,1,1,14,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-, MONOSODIUM SALT",014206-62-3,23672297,sodium 3-hydroxynaphthalene-2-carboxylate,C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.[Na+],"InChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1",ZCNGWQCRXUGQCW-UHFFFAOYSA-M,C11H7NaO3,210.16,210.0292884,,60.4,232,0,1,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENEACETAMIDE, THIO-",017518-47-7,3033873,2-naphthalen-1-ylethanethioamide,C1=CC=C2C(=C1)C=CC=C2CC(=S)N,"InChI=1S/C12H11NS/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)",FUDCGMJJFOGQFO-UHFFFAOYSA-N,C12H11NS,201.29,201.0612205,2.7,58.1,214,0,1,1,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 2,6-BIS(1-METHYLETHYL)-",024157-81-1,32241,"2,6-di(propan-2-yl)naphthalene",CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C,"InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3",GWLLTEXUIOFAFE-UHFFFAOYSA-N,C16H20,212.33,212.1565006,5.8,0,192,0,0,0,2,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENEPROPANOL, .ALPHA.-ETHENYLDECAHYDRO-2-HYDROXY-.ALPHA.,2,5,5,8A-PEN",070892-62-5,14711518,3-naphthalen-1-ylpropan-1-ol,C1=CC=C2C(=C1)C=CC=C2CCCO,"InChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2",LSYAESHKCVOHFC-UHFFFAOYSA-N,C13H14O,186.25,186.1044651,3.5,20.2,167,0,1,1,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 4-[(4-CHLORO-2-METHYLPHENYL)AZO]-3-HYDROXY-, N-(BUTY",072162-22-2,75245,naphthalene-2-carboxamide,C1=CC=C2C=C(C=CC2=C1)C(=O)N,"InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)",JVXXKQIRGQDWOJ-UHFFFAOYSA-N,C11H9NO,171.19,171.0684139,2.6,43.1,202,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONAMIDE, 5(OR 6)-DIAZO-5,6-DIHYDRO-6(OR 5)-OXO-, N-(MIXED ABI",074665-12-6,163571,naphthalene-1-sulfonamide,C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N,"InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)",ZFIFHAKCBWOSRN-UHFFFAOYSA-N,C10H9NO2S,207.25,207.0353997,1.9,68.5,294,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 1-ISOCYANATO-",000086-84-0,66589,1-isocyanatonaphthalene,C1=CC=C2C(=C1)C=CC=C2N=C=O,InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,BDQNKCYCTYYMAA-UHFFFAOYSA-N,C11H7NO,169.18,169.0527638,3.7,29.4,220,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-VINYLNAPHTHALENE,000827-54-3,13230,2-ethenylnaphthalene,C=CC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2",KXYAVSFOJVUIHT-UHFFFAOYSA-N,C12H10,154.21,154.0782503,4.3,0,159,0,0,0,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYNYLNAPHTHALENE,002949-26-0,115017,2-ethynylnaphthalene,C#CC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9H",IZXPFTLEVNQLGD-UHFFFAOYSA-N,C12H8,152.19,152.0626003,3.7,0,195,0,0,0,1,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-5-HYDROXY-",000090-20-0,7009,"4-amino-5-hydroxynaphthalene-2,7-disulfonic acid",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O,"InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",APRRQJCCBSJQOQ-UHFFFAOYSA-N,C10H9NO7S2,319.3,318.982044,0.2,172,561,0,4,8,2,20,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENESULFONIC ACID, BIS(1-METHYLETHYL)-, SODIUM SALT",001322-93-6,162217,"2,3-di(propan-2-yl)naphthalene-1-sulfonic acid",CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)O,"InChI=1S/C16H20O3S/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4/h5-11H,1-4H3,(H,17,18,19)",LWEAHXKXKDCSIE-UHFFFAOYSA-N,C16H20O3S,292.4,292.1133157,4.2,62.8,421,0,1,3,3,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"NAPHTHALENESULFONIC ACID, BIS(2-METHYLPROPYL)-, SODIUM SALT",027213-90-7,23663678,"sodium 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate",CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C18H24O3S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21);/q;+1/p-1",PYODKQIVQIVELM-UHFFFAOYSA-M,C18H23NaO3S,342.4,342.1265601,,65.6,455,0,0,3,5,23,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENESULFONIC ACID, BUTYL-, SODIUM SALT",025638-17-9,56841915,sodium 3-butylnaphthalene-1-sulfonate,CCCCC1=CC2=CC=CC=C2C(=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H16O3S.Na/c1-2-3-6-11-9-12-7-4-5-8-13(12)14(10-11)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1",AGVNDXHAPPQIMH-UHFFFAOYSA-M,C14H15NaO3S,286.32,286.0639598,,65.6,363,0,0,3,4,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHYL BUTYRATE, BETA-",005856-33-7,347991,naphthalen-2-yl butanoate,CCCC(=O)OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3",KCWQXDQUKLJUEU-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,3.6,26.3,237,0,0,2,4,16,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NAPHTHALENE,000091-20-3,931,naphthalene,C1=CC=C2C=CC=CC2=C1,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,UFWIBTONFRDIAS-UHFFFAOYSA-N,C10H8,128.17,128.0626003,3.3,0,80,0,0,0,0,10,"190 °F (NTP, 1992)","424 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBARYL,000063-25-2,6129,naphthalen-1-yl N-methylcarbamate,CNC(=O)OC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N,C12H11NO2,201.22,201.0789786,2.4,38.3,230,0,1,2,2,15,193-202 °C,"Decomposes (NIOSH, 2024)",1,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NAPHTHOL,000135-19-3,8663,naphthalen-2-ol,C1=CC=C2C=C(C=CC2=C1)O,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",JWAZRIHNYRIHIV-UHFFFAOYSA-N,C10H8O,144.17,144.0575149,2.7,20.2,133,0,1,1,0,11,152.7 °C,285 °C,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NAPHTHALENESULFONIC ACID,000085-47-2,6812,naphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O,"InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)",PSZYNBSKGUBXEH-UHFFFAOYSA-N,C10H8O3S,208.24,208.0194153,1.9,62.8,291,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-CHLORONAPHTHALENE,000090-13-1,7003,1-chloronaphthalene,C1=CC=C2C(=C1)C=CC=C2Cl,InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,JTPNRXUCIXHOKM-UHFFFAOYSA-N,C10H7Cl,162.61,162.0236279,4.2,0,133,0,0,0,0,11,"250 °F (NTP, 1992)","505 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXY-1-NAPHTHOIC ACID,002437-17-4,5463800,6-hydroxynaphthalene-1-carboxylic acid,C1=CC2=C(C=CC(=C2)O)C(=C1)C(=O)O,"InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)",JCJUKCIXTRWAQY-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.7,57.5,227,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-DIHYDROXYNAPHTHALENE",000582-17-2,11397,"naphthalene-2,7-diol",C1=CC(=CC2=C1C=CC(=C2)O)O,"InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H",DFQICHCWIIJABH-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.3,40.5,142,0,2,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
ALPHA-NAPHTHOL,000090-15-3,7005,naphthalen-1-ol,C1=CC=C2C(=C1)C=CC=C2O,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",KJCVRFUGPWSIIH-UHFFFAOYSA-N,C10H8O,144.17,144.0575149,2.8,20.2,133,0,1,1,0,11,153 °C (open cup),288 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-METHYLNAPHTHALENE,000091-57-6,7055,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,"InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",QIMMUPPBPVKWKM-UHFFFAOYSA-N,C11H10,142.2,142.0782503,3.9,0,128,0,0,0,0,11,"208 °F (NTP, 1992)","466 to 468 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-METHYLNAPHTHALENE,000090-12-0,7002,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,"InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",QPUYECUOLPXSFR-UHFFFAOYSA-N,C11H10,142.2,142.0782503,3.9,0,128,0,0,0,0,11,"greater than 200 °F (NTP, 1992)","450 to 590 °F at 760 mmHg (NTP, 1992)",0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-2-NAPHTHALENYL-.OMEGA.-HYDROXY-",035545-57-4,7131,2-naphthalen-2-yloxyethanol,C1=CC=C2C=C(C=CC2=C1)OCCO,"InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2",BQPBZDSDFCDSAO-UHFFFAOYSA-N,C12H12O2,188.22,188.0837296,2.8,29.5,170,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NAPHTHYLAMINE,000091-59-8,7057,naphthalen-2-amine,C1=CC=C2C=C(C=CC2=C1)N,"InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2",JBIJLHTVPXGSAM-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.3,26,133,0,1,1,0,11,"315 °F (NIOSH, 2024)","583 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTACHLORONAPHTHALENE,002234-13-1,16692,"1,2,3,4,5,6,7,8-octachloronaphthalene",C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,RTNLUFLDZOAXIC-UHFFFAOYSA-N,C10Cl8,403.7,403.744921,8.2,0,254,0,0,0,0,18,flash point > 430 °C,"824 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRACHLORONAPHTHALENE,001335-88-2,29910,"1,2,3,4-tetrachloronaphthalene",C1=CC=C2C(=C1)C(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H,NAQWICRLNQSPPW-UHFFFAOYSA-N,C10H4Cl4,265.9,265.903761,5.7,0,186,0,0,0,0,14,"410 °F (NIOSH, 2024)","599 to 680 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, 1-(1-METHYLETHYL)-",006158-45-8,22535,1-propan-2-ylnaphthalene,CC(C)C1=CC=CC2=CC=CC=C21,"InChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3",PMPBFICDXLLSRM-UHFFFAOYSA-N,C13H14,170.25,170.1095504,4.6,0,159,0,0,0,1,13,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NAPHTHYLAMINE-5-SULFONIC ACID,000084-89-9,6793,5-aminonaphthalene-1-sulfonic acid,C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N,"InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",DQNAQOYOSRJXFZ-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.4,88.8,322,0,2,4,1,15,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINO-1-NAPHTHALENESULFONIC ACID,000084-86-6,6790,4-aminonaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N,"InChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)",NRZRRZAVMCAKEP-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.2,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
8-AMINO-2-NAPHTHALENESULFONIC ACID,000119-28-8,8386,8-aminonaphthalene-2-sulfonic acid,C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N,"InChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h1-6H,11H2,(H,12,13,14)",QEZZCWMQXHXAFG-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.2,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(BROMOMETHYL)NAPHTHALENE,000939-26-4,70320,2-(bromomethyl)naphthalene,C1=CC=C2C=C(C=CC2=C1)CBr,"InChI=1S/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2",RUHJZSZTSCSTCC-UHFFFAOYSA-N,C11H9Br,221.09,219.98876,3.7,0,144,0,0,0,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONYL CHLORIDE,000605-65-2,11801,5-(dimethylamino)naphthalene-1-sulfonyl chloride,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl,"InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3",XPDXVDYUQZHFPV-UHFFFAOYSA-N,C12H12ClNO2S,269.75,269.0277275,3.5,45.8,363,0,0,3,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-DIMETHYLAMINONAPHTHALENE-1-SULFONYL FLUORIDE,034523-28-9,93175,5-(dimethylamino)naphthalene-1-sulfonyl fluoride,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F,"InChI=1S/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3",JMHHECQPPFEVMU-UHFFFAOYSA-N,C12H12FNO2S,253.29,253.057278,3.2,45.8,363,0,0,4,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMO-2'-ACETONAPHTHONE,000613-54-7,69179,2-bromo-1-naphthalen-2-ylethanone,C1=CC=C2C=C(C=CC2=C1)C(=O)CBr,"InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2",YHXHHGDUANVQHE-UHFFFAOYSA-N,C12H9BrO,249.1,247.98368,4,17.1,214,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-AMINO-1,3-NAPHTHALENEDISULFONIC ACID",000086-65-7,6851,"7-aminonaphthalene-1,3-disulfonic acid",C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",CMOLPZZVECHXKN-UHFFFAOYSA-N,C10H9NO6S2,303.3,302.9871294,0,152,531,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
6-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID,000090-51-7,7022,6-amino-4-hydroxynaphthalene-2-sulfonic acid,C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)N,"InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)",HBZVNWNSRNTWPS-UHFFFAOYSA-N,C10H9NO4S,239.25,239.0252289,-0.9,109,350,0,3,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-NAPHTHOYL CHLORIDE,000879-18-5,70146,naphthalene-1-carbonyl chloride,C1=CC=C2C(=C1)C=CC=C2C(=O)Cl,InChI=1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,NSNPSJGHTQIXDO-UHFFFAOYSA-N,C11H7ClO,190.62,190.0185425,4.1,17.1,202,0,0,1,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID",000081-04-9,6666,"naphthalene-1,5-disulfonic acid",C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O,"InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)",XTEGVFVZDVNBPF-UHFFFAOYSA-N,C10H8O6S2,288.3,287.9762303,0.6,126,449,0,2,6,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 4-AMINO-5-HYDROXY-",000082-47-3,65740,"4-amino-5-hydroxynaphthalene-1,3-disulfonic acid",C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C10H9NO7S2/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",ZFRBZRZEKIOGQI-UHFFFAOYSA-N,C10H9NO7S2,319.3,318.982044,0.2,172,561,0,4,8,2,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-NAPHTHALENESULFONIC ACID, 8-AMINO-",000082-75-7,6722,8-aminonaphthalene-1-sulfonic acid,C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O,"InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",CYJJLCDCWVZEDZ-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.2,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 4-AMINO-5-HYDROXY-",000083-64-7,6752,4-amino-5-hydroxynaphthalene-1-sulfonic acid,C1=CC2=C(C=CC(=C2C(=C1)O)N)S(=O)(=O)O,"InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)",LRDIEHDJWYRVPT-UHFFFAOYSA-N,C10H9NO4S,239.25,239.0252289,1.4,109,350,0,3,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-NAPHTHALENESULFONYL CHLORIDE,000085-46-1,66560,naphthalene-1-sulfonyl chloride,C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)Cl,"InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H",DASJFYAPNPUBGG-UHFFFAOYSA-N,C10H7ClO2S,226.68,225.9855283,3.2,42.5,294,0,0,2,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONIC ACID, 7-AMINO-4-HYDROXY-",000087-02-5,6868,7-amino-4-hydroxynaphthalene-2-sulfonic acid,C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)O,"InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",KYARBIJYVGJZLB-UHFFFAOYSA-N,C10H9NO4S,239.25,239.0252289,-0.9,109,350,0,3,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-HYDROXY-",000093-01-6,7117,6-hydroxynaphthalene-2-sulfonic acid,C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1O,"InChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)",VVPHSMHEYVOVLH-UHFFFAOYSA-N,C10H8O4S,224.23,224.0143299,0.3,83,319,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-NAPHTHALENESULFONYL CHLORIDE,000093-11-8,7125,naphthalene-2-sulfonyl chloride,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)Cl,"InChI=1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H",OPECTNGATDYLSS-UHFFFAOYSA-N,C10H7ClO2S,226.68,225.9855283,1.9,42.5,294,0,0,2,1,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO-",000118-03-6,8349,"7-aminonaphthalene-1,3,6-trisulfonic acid",C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O,"InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",GFPQSWFFPRQEHH-UHFFFAOYSA-N,C10H9NO9S3,383.4,382.9439444,-0.7,214,756,0,4,10,3,23,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONIC ACID, 8-HYDROXY-5,7-DINITRO-",000483-84-1,10226,"8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid",C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C10H6N2O8S/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17/h1-4,13H,(H,18,19,20)",FCQJEPASRCXVCB-UHFFFAOYSA-N,C10H6N2O8S,314.23,313.9844863,1.8,175,533,0,2,8,1,21,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, 1-NAPHTHALENYL ESTER",003759-61-3,19575,naphthalen-1-yl carbonochloridate,C1=CC=C2C(=C1)C=CC=C2OC(=O)Cl,InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,JRUFQZPDRRGHEF-UHFFFAOYSA-N,C11H7ClO2,206.62,206.0134572,3.8,26.3,217,0,0,2,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENEDISULFONIC ACID, DINONYL-",060223-95-2,108907,"4,5-di(nonyl)naphthalene-1,7-disulfonic acid",CCCCCCCCCC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCC,"InChI=1S/C28H44O6S2/c1-3-5-7-9-11-13-15-17-23-19-20-27(36(32,33)34)26-22-25(35(29,30)31)21-24(28(23)26)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,29,30,31)(H,32,33,34)",XWNWPUWXRCLVEG-UHFFFAOYSA-N,C28H44O6S2,540.8,540.2579315,9.8,126,799,0,2,6,18,36,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID TETRAHYDRATE",,53249422,"naphthalene-1,5-disulfonic acid;tetrahydrate",C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O.O.O.O.O,"InChI=1S/C10H8O6S2.4H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);4*1H2",ZLBLYGIIADHDKG-UHFFFAOYSA-N,C10H16O10S2,360.4,360.0184891,,130,449,0,6,10,2,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENEDISULFONIC ACID, DINONYL-, BRANCHED, COMPDS. WITH MORPHOLINE (1:2)",112400-78-9,3015207,"naphthalene-1,2-disulfonic acid",C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C10H8O6S2/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)",YZMHQCWXYHARLS-UHFFFAOYSA-N,C10H8O6S2,288.3,287.9762303,0.7,126,497,0,2,6,2,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-",000578-85-8,43853,"4-hydroxynaphthalene-2,7-disulfonic acid",C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)O,"InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)",TZBROGJRQUABOK-UHFFFAOYSA-N,C10H8O7S2,304.3,303.9711449,-1.4,146,527,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-1-NAPHTHOL,007469-77-4,24055,2-methylnaphthalen-1-ol,CC1=C(C2=CC=CC=C2C=C1)O,"InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3",SRJCJJKWVSSELL-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,3.2,20.2,155,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHYL ACETATE,000830-81-9,13247,naphthalen-1-yl acetate,CC(=O)OC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3",VGKONPUVOVVNSU-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.8,26.3,212,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-DINITRONAPHTHALENE",000605-71-0,11803,"1,5-dinitronaphthalene",C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-],InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H,ZUTCJXFCHHDFJS-UHFFFAOYSA-N,C10H6N2O4,218.17,218.0327567,2.6,91.6,266,0,0,4,0,16,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,1
7-BROMO-2-NAPHTHOL,116230-30-9,613827,7-bromonaphthalen-2-ol,C1=CC(=CC2=C1C=CC(=C2)Br)O,"InChI=1S/C10H7BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H",VWSBGGRCEQOTNU-UHFFFAOYSA-N,C10H7BrO,223.07,221.96803,3.4,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMONAPHTHALENE",013720-06-4,640591,"2,6-dibromonaphthalene",C1=CC2=C(C=CC(=C2)Br)C=C1Br,InChI=1S/C10H6Br2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H,PJZDEYKZSZWFPX-UHFFFAOYSA-N,C10H6Br2,285.96,285.88158,4.6,0,140,0,0,0,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S)-2,2-DIMETHYL-1-(1-NAPHTHYL)PROPYLAMINE",324034-56-2,94549203,"(1S)-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine",CC(C)(C)[C@@H](C1=CC=CC2=CC=CC=C21)N,"InChI=1S/C15H19N/c1-15(2,3)14(16)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,16H2,1-3H3/t14-/m1/s1",FQTPRCXAYUOOGA-CQSZACIVSA-N,C15H19N,213.32,213.1517496,3.8,26,228,0,1,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 4,5-DIHYDROXY-, DISODIUM SALT",000129-96-4,67220,"disodium;4,5-dihydroxynaphthalene-2,7-disulfonate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H8O8S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",AFGPCIMUGMJQPD-UHFFFAOYSA-L,C10H6Na2O8S2,364.3,363.9299481,,172,480,0,2,8,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 7-HYDROXY-, MONOSODIUM SALT",000135-55-7,23667647,sodium 7-hydroxynaphthalene-2-sulfonate,C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",IVXSQYUPCUOMRV-UHFFFAOYSA-M,C10H7NaO4S,246.22,245.9962742,,85.8,324,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, METHYL-, SODIUM SALT",026264-58-4,23669609,sodium 2-methylnaphthalene-1-sulfonate,CC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C11H10O3S.Na/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1",GCNLRNBDDUYJMP-UHFFFAOYSA-M,C11H9NaO3S,244.24,244.0170096,,65.6,323,0,0,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, DINONYL-, SODIUM SALT",026834-28-6,23688928,"sodium 2,3-di(nonyl)naphthalene-1-sulfonate",CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C28H44O3S.Na/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+1/p-1",DHQIJSYTNIUZRY-UHFFFAOYSA-M,C28H43NaO3S,482.7,482.2830607,,65.6,574,0,0,3,17,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-AMINO-2-NAPHTHOL-4-SULFONIC ACID,000116-63-2,8316,4-amino-3-hydroxynaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O,"InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",RXCMFQDTWCCLBL-UHFFFAOYSA-N,C10H9NO4S,239.25,239.0252289,0.9,109,350,0,3,5,1,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-NAPHTHOIC ACID,000086-55-5,6847,naphthalene-1-carboxylic acid,C1=CC=C2C(=C1)C=CC=C2C(=O)O,"InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)",LNETULKMXZVUST-UHFFFAOYSA-N,C11H8O2,172.18,172.0524295,3.1,37.3,200,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-NAPHTHOIC ACID,000093-09-4,7123,naphthalene-2-carboxylic acid,C1=CC=C2C=C(C=CC2=C1)C(=O)O,"InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)",UOBYKYZJUGYBDK-UHFFFAOYSA-N,C11H8O2,172.18,172.0524295,3.3,37.3,200,0,1,2,1,13,205 °C,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORONAPHTHALENE,000091-58-7,7056,2-chloronaphthalene,C1=CC=C2C=C(C=CC2=C1)Cl,InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,CGYGETOMCSJHJU-UHFFFAOYSA-N,C10H7Cl,162.61,162.0236279,4.1,0,133,0,0,0,0,11,125 °C,"493 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
NAPHTHORESORCINOL,000132-86-5,8601,"naphthalene-1,3-diol",C1=CC=C2C(=C1)C=C(C=C2O)O,"InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H",XOOMNEFVDUTJPP-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2,40.5,158,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
N-1-NAPHTHYLETHYLENEDIAMINE DIHYDROCHLORIDE,001465-25-4,15106,"N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride",C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,"InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H",MZNYWPRCVDMOJG-UHFFFAOYSA-N,C12H16Cl2N2,259.17,258.0690539,,38.1,170,0,4,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHALENEACETIC ACID,000581-96-4,11393,2-naphthalen-2-ylacetic acid,C1=CC=C2C=C(C=CC2=C1)CC(=O)O,"InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)",VIBOGIYPPWLDTI-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.8,37.3,212,0,1,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHALENEMETHANOL,001592-38-7,74128,naphthalen-2-ylmethanol,C1=CC=C2C=C(C=CC2=C1)CO,"InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2",MFGWMAAZYZSWMY-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,2.2,20.2,144,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-NAPHTHALENEDICARBOXYLIC ACID",002169-87-1,95073,"naphthalene-2,3-dicarboxylic acid",C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O,"InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)",KHARCSTZAGNHOT-UHFFFAOYSA-N,C12H8O4,216.19,216.0422587,2.2,74.6,269,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,7-DIHYDROXYNAPHTHALENE",000575-38-2,68462,"naphthalene-1,7-diol",C1=CC2=C(C=C(C=C2)O)C(=C1)O,"InChI=1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H",ZUVBIBLYOCVYJU-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.9,40.5,158,0,2,2,0,12,[Ullmann] 252 °C,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-DIHYDROXYNAPHTHALENE",000575-44-0,68463,"naphthalene-1,6-diol",C1=CC2=C(C=CC(=C2)O)C(=C1)O,"InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H",FZZQNEVOYIYFPF-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.9,40.5,158,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXY-1-NAPHTHOL,000084-85-5,66542,4-methoxynaphthalen-1-ol,COC1=CC=C(C2=CC=CC=C21)O,"InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3",BOTGCZBEERTTDQ-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,3.3,29.5,169,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BROMO-2-NAPHTHOL,015231-91-1,27144,6-bromonaphthalen-2-ol,C1=CC2=C(C=CC(=C2)Br)C=C1O,"InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H",YLDFTMJPQJXGSS-UHFFFAOYSA-N,C10H7BrO,223.07,221.96803,3.4,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHALENEMETHYLAMINE,000118-31-0,8355,naphthalen-1-ylmethanamine,C1=CC=C2C(=C1)C=CC=C2CN,"InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2",NVSYANRBXPURRQ-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,2.1,26,144,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-NAPHTHALENEDIOL",000574-00-5,11318,"naphthalene-1,2-diol",C1=CC=C2C(=C1)C=CC(=C2O)O,"InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",NXPPAOGUKPJVDI-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.2,40.5,158,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-((5-DIMETHYLAMINONAPHTHALENE-1-SULFONYL)AMINO)UNDECANOIC ACID,073025-02-2,122016,11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoic acid,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCC(=O)O,"InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)",CEPGVMDMVJGHFQ-UHFFFAOYSA-N,C23H34N2O4S,434.6,434.2239287,5.7,95.1,603,0,2,6,14,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHALENEETHANOL,000773-99-9,13047,2-naphthalen-1-ylethanol,C1=CC=C2C(=C1)C=CC=C2CCO,"InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2",RXWNCMHRJCOWDK-UHFFFAOYSA-N,C12H12O,172.22,172.088815,3.2,20.2,155,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHALENEMETHANOL,004780-79-4,20908,naphthalen-1-ylmethanol,C1=CC=C2C(=C1)C=CC=C2CO,"InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2",PBLNHHSDYFYZNC-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,2.4,20.2,144,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DINITRONAPHTHALENE",000606-37-1,11818,"1,3-dinitronaphthalene",C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H,ULALSFRIGPMWRS-UHFFFAOYSA-N,C10H6N2O4,218.17,218.0327567,2.8,91.6,296,0,0,4,0,16,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-1-NAPHTHOL,000604-44-4,11787,4-chloronaphthalen-1-ol,C1=CC=C2C(=C1)C(=CC=C2Cl)O,"InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H",LVSPDZAGCBEQAV-UHFFFAOYSA-N,C10H7ClO,178.61,178.0185425,3.9,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-DIMETHYLNAPHTHALENE",000571-61-9,11306,"1,5-dimethylnaphthalene",CC1=C2C=CC=C(C2=CC=C1)C,"InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3",SDDBCEWUYXVGCQ-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,132,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIHYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, DISODIUM SALT",007153-21-1,81587,"disodium;3,6-dihydroxynaphthalene-2,7-disulfonate",C1=C2C=C(C(=CC2=CC(=C1O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C10H8O8S2.2Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",TVCXTRSVWGUSPY-UHFFFAOYSA-L,C10H6Na2O8S2,364.3,363.9299481,,172,480,0,2,8,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-NAPHTHALENEDICARBOXYLIC ACID",000605-70-9,69065,"naphthalene-1,4-dicarboxylic acid",C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O,"InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)",ABMFBCRYHDZLRD-UHFFFAOYSA-N,C12H8O4,216.19,216.0422587,2.6,74.6,269,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
B-NAPHTHYL ACID PHOSPHATE MONOSODIUM,014463-68-4,23700943,sodium naphthalen-2-yl hydrogen phosphate,C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+],"InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1",GHMHDIFFBHLXTJ-UHFFFAOYSA-M,C10H8NaO4P,246.13,246.00579,,69.6,274,0,1,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-NAPHTHALALDEHYDIC ACID",005811-87-0,79881,8-formylnaphthalene-1-carboxylic acid,C1=CC2=C(C(=C1)C=O)C(=CC=C2)C(=O)O,"InChI=1S/C12H8O3/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15/h1-7H,(H,14,15)",HLHDIWAOQIRETC-UHFFFAOYSA-N,C12H8O3,200.19,200.0473441,1.9,54.4,262,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-NAPTHALENEDICARBOXALDEHYDE",007149-49-7,96400,"naphthalene-2,3-dicarbaldehyde",C1=CC=C2C=C(C(=CC2=C1)C=O)C=O,InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H,ZIPLKLQPLOWLTM-UHFFFAOYSA-N,C12H8O2,184.19,184.0524295,2.1,34.1,200,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, SODIUM SALT",000532-02-5,23661868,sodium naphthalene-2-sulfonate,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1",YWPOLRBWRRKLMW-UHFFFAOYSA-M,C10H7NaO3S,230.22,230.0013595,,65.6,296,0,0,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DANSYLHYDRAZINE,033008-06-9,94442,5-(dimethylamino)naphthalene-1-sulfonohydrazide,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NN,"InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3",KPQYDVAFRDWIBW-UHFFFAOYSA-N,C12H15N3O2S,265.33,265.0884979,1.7,83.8,377,0,2,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROSO-1-NAPHTHOL,000132-53-6,8592,2-nitrosonaphthalen-1-ol,C1=CC=C2C(=C1)C=CC(=C2O)N=O,"InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H",SYUYTOYKQOAVDW-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,2.5,49.7,195,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITRO-1-NAPHTHOL,000607-24-9,69083,2-nitronaphthalen-1-ol,C1=CC=C2C(=C1)C=CC(=C2O)[N+](=O)[O-],"InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H",MUCCHGOWMZTLHK-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,2.9,66.1,226,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-METHYLNAPHTHALENE,006627-78-7,81112,1-bromo-4-methylnaphthalene,CC1=CC=C(C2=CC=CC=C12)Br,"InChI=1S/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3",IDRVLLRKAAHOBP-UHFFFAOYSA-N,C11H9Br,221.09,219.98876,4.2,0,155,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-METHOXY-2-NAPHTHOL,005060-82-2,853173,7-methoxynaphthalen-2-ol,COC1=CC2=C(C=CC(=C2)O)C=C1,"InChI=1S/C11H10O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7,12H,1H3",UNFNRIIETORURP-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,3.1,29.5,169,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NAPHTHALENEDICARBOXYLIC ACID",001141-38-4,14357,"naphthalene-2,6-dicarboxylic acid",C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O,"InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)",RXOHFPCZGPKIRD-UHFFFAOYSA-N,C12H8O4,216.19,216.0422587,2.8,74.6,269,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHROMOTROPIC ACID DISODIUM SALT DIHYDRATE,005808-22-0,2723846,"disodium;4,5-dihydroxynaphthalene-2,7-disulfonate;dihydrate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].O.O.[Na+].[Na+],"InChI=1S/C10H8O8S2.2Na.2H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;2*1H2/q;2*+1;;/p-2",QUEAKWJKJBFNEG-UHFFFAOYSA-L,C10H10Na2O10S2,400.3,399.9510774,,174,480,0,4,10,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIHYDROXY-2-NAPHTHOIC ACID",031519-22-9,671,"1,4-dihydroxynaphthalene-2-carboxylic acid",C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O,"InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)",VOJUXHHACRXLTD-UHFFFAOYSA-N,C11H8O4,204.18,204.0422587,2.5,77.8,253,0,3,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHOXYNAPHTHALENE,000093-18-5,7129,2-ethoxynaphthalene,CCOC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",GUMOJENFFHZAFP-UHFFFAOYSA-N,C12H12O,172.22,172.088815,3.8,9.2,155,0,0,1,2,13,,282.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT",000135-51-3,8673,"disodium;3-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",VNEBWJSWMVTSHK-UHFFFAOYSA-L,C10H6Na2O7S2,348.3,347.9350334,,151,501,0,1,7,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-FLUORONAPHTHALENE,000321-38-0,9450,1-fluoronaphthalene,C1=CC=C2C(=C1)C=CC=C2F,InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,CWLKTJOTWITYSI-UHFFFAOYSA-N,C10H7F,146.16,146.0531784,3.7,0,133,0,0,1,0,11,,"419 °F at 756 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTAFLUORONAPHTHALENE,000313-72-4,67564,"1,2,3,4,5,6,7,8-octafluoronaphthalene",C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)F)F,InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,JDCMOHAFGDQQJX-UHFFFAOYSA-N,C10F8,272.09,271.9872253,4,0,254,0,0,8,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLORO-1-NAPHTHOL",002050-76-2,16313,"2,4-dichloronaphthalen-1-ol",C1=CC=C2C(=C1)C(=CC(=C2O)Cl)Cl,"InChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H",HVLJEMXDXOTWLV-UHFFFAOYSA-N,C10H6Cl2O,213.06,211.9795702,4.8,20.2,186,0,1,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-AMINO-2-NAPHTHOL,000118-46-7,8358,8-aminonaphthalen-2-ol,C1=CC2=C(C=C(C=C2)O)C(=C1)N,"InChI=1S/C10H9NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H,11H2",KVHHMYZBFBSVDI-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.6,46.3,160,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-1-NAPHTHOIC ACID,002283-08-1,16790,2-hydroxynaphthalene-1-carboxylic acid,C1=CC=C2C(=C1)C=CC(=C2C(=O)O)O,"InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)",UPHOPMSGKZNELG-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.9,57.5,227,0,2,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-METHYLNAPHTHALENE,002586-62-1,75754,1-bromo-2-methylnaphthalene,CC1=C(C2=CC=CC=C2C=C1)Br,"InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3",CMIMBQIBIZZZHQ-UHFFFAOYSA-N,C11H9Br,221.09,219.98876,4.2,0,155,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONODANSYLCADAVERINE,010121-91-2,4247,N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCN,"InChI=1S/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3",MLEBFEHOJICQQS-UHFFFAOYSA-N,C17H25N3O2S,335.5,335.1667482,2.5,83.8,447,0,2,5,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPTHYLTRIMETHOXYSILANE,018052-76-1,11954884,trimethoxy(naphthalen-1-yl)silane,CO[Si](C1=CC=CC2=CC=CC=C21)(OC)OC,"InChI=1S/C13H16O3Si/c1-14-17(15-2,16-3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3",ZSOVVFMGSCDMIF-UHFFFAOYSA-N,C13H16O3Si,248.35,248.0868709,,27.7,235,0,0,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIBROMONAPHTHALENE",000083-53-4,66521,"1,4-dibromonaphthalene",C1=CC=C2C(=C1)C(=CC=C2Br)Br,InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,IBGUDZMIAZLJNY-UHFFFAOYSA-N,C10H6Br2,285.96,285.88158,4.8,0,140,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-2-NAPHTHOL,000086-97-5,6865,5-aminonaphthalen-2-ol,C1=CC2=C(C=CC(=C2)O)C(=C1)N,"InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2",FSBRKZMSECKELY-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.6,46.3,160,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODONAPHTHALENE,000090-14-2,7004,1-iodonaphthalene,C1=CC=C2C(=C1)C=CC=C2I,InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,NHPPIJMARIVBGU-UHFFFAOYSA-N,C10H7I,254.07,253.95925,4.2,0,133,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIHYDROXY-2,7-NAPHTHALENEDISULFONIC ACID",000148-25-4,67221,"4,5-dihydroxynaphthalene-2,7-disulfonic acid",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O,"InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)",HLVXFWDLRHCZEI-UHFFFAOYSA-N,C10H8O8S2,320.3,319.9660596,0.5,166,507,0,4,8,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NAPHTHALENEDIOL",000581-43-1,93552,"naphthalene-2,6-diol",C1=CC2=C(C=CC(=C2)O)C=C1O,"InChI=1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H",MNZMMCVIXORAQL-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.3,40.5,140,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-Naphthalenedimethanol",002026-08-6,74846,[8-(hydroxymethyl)naphthalen-1-yl]methanol,C1=CC2=C(C(=C1)CO)C(=CC=C2)CO,"InChI=1S/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2",DINZUYYYXDLSJE-UHFFFAOYSA-N,C12H12O2,188.22,188.0837296,1.4,40.5,163,0,2,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NAPHTHALENEACETIC ACID POTASSIUM SALT,015165-79-4,23700091,potassium 2-naphthalen-1-ylacetate,C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+],"InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1",HPQBUYIHTJNBOM-UHFFFAOYSA-M,C12H9KO2,224.3,224.023961,,40.1,218,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM 7-AMINONAPHTHALENE-2-SULPHONATE,005412-82-8,23678693,sodium 7-aminonaphthalene-2-sulfonate,C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])N.[Na+],"InChI=1S/C10H9NO3S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",BFGOSNKRBCAENG-UHFFFAOYSA-M,C10H8NNaO3S,245.23,245.0122586,,91.6,327,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DISODIUM NAPHTHALENE-2,6-DISULPHONATE",001655-45-4,3014027,"disodium;naphthalene-2,6-disulfonate",C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",WZZLWPIYWZEJOX-UHFFFAOYSA-L,C10H6Na2O6S2,332.3,331.9401188,,131,423,0,0,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 6-BROMO-2-NAPHTHOATE,033626-98-1,854134,methyl 6-bromonaphthalene-2-carboxylate,COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br,"InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3",JEUBRLPXJZOGPX-UHFFFAOYSA-N,C12H9BrO2,265.1,263.97859,3.7,26.3,242,0,0,2,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-2-METHOXYNAPHTHALENE,003401-47-6,72860,1-bromo-2-methoxynaphthalene,COC1=C(C2=CC=CC=C2C=C1)Br,"InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3",XNIGURFWNPLWJM-UHFFFAOYSA-N,C11H9BrO,237.09,235.98368,3.8,9.2,171,0,0,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-(2-AMINOETHYLAMINO)-1-NAPHTHALENESULFONICACID SODIUM SALT,100900-07-0,4116252,sodium 5-(2-aminoethylamino)naphthalene-1-sulfonate,C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)NCCN.[Na+],"InChI=1S/C12H14N2O3S.Na/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17;/h1-6,14H,7-8,13H2,(H,15,16,17);/q;+1/p-1",HGWRACRQRUQQGH-UHFFFAOYSA-M,C12H13N2NaO3S,288.3,288.0544577,,104,372,0,2,5,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NAPHTHYL METHACRYLATE,010475-46-4,82654,naphthalen-2-yl 2-methylprop-2-enoate,CC(=C)C(=O)OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C14H12O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1H2,2H3",CXOYJPWMGYDJNW-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.7,26.3,282,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE-2,6-DIAMINE",002243-67-6,2749139,"naphthalene-2,6-diamine",C1=CC2=C(C=CC(=C2)N)C=C1N,"InChI=1S/C10H10N2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H,11-12H2",GOGZBMRXLADNEV-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.6,52,140,0,2,2,0,12,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-NAPHTHALENOL, 5-AMINO-",000083-55-6,65746,5-aminonaphthalen-1-ol,C1=CC2=C(C=CC=C2O)C(=C1)N,"InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2",ZBIBQNVRTVLOHQ-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.5,46.3,160,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 4-HYDROXY-",000084-87-7,6791,4-hydroxynaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O,"InChI=1S/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)",HGWQOFDAUWCQDA-UHFFFAOYSA-N,C10H8O4S,224.23,224.0143299,2.1,83,319,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,6-NAPHTHALENEDISULFONIC ACID, 8-AMINO-",000129-91-9,67217,"8-aminonaphthalene-1,6-disulfonic acid",C1=CC2=CC(=CC(=C2C(=C1)S(=O)(=O)O)N)S(=O)(=O)O,"InChI=1S/C10H9NO6S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",YDEOXZHCPCPPJG-UHFFFAOYSA-N,C10H9NO6S2,303.3,302.9871294,0,152,531,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 4-AMINO-, MONOSODIUM SALT",000130-13-2,23665720,sodium 4-aminonaphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+],"InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",JWSRMCCRAJUMLX-UHFFFAOYSA-M,C10H8NNaO3S,245.23,245.0122586,,91.6,327,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-NAPHTHALENESULFONIC ACID, 7-HYDROXY-",000132-57-0,67237,7-hydroxynaphthalene-1-sulfonic acid,C1=CC2=C(C=C(C=C2)O)C(=C1)S(=O)(=O)O,"InChI=1S/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-6,11H,(H,12,13,14)",HUYJTJXLNBOVFO-UHFFFAOYSA-N,C10H8O4S,224.23,224.0143299,1,83,319,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC ACID, (7-HYDROXY-1-NAPHTHALENYL)-, METHYL ESTER",000132-63-8,67240,methyl N-(7-hydroxynaphthalen-1-yl)carbamate,COC(=O)NC1=CC=CC2=C1C=C(C=C2)O,"InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)",DZNFLGGCJZUMEM-UHFFFAOYSA-N,C12H11NO3,217.22,217.0738932,1.9,58.6,257,0,2,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 6,7-DIHYDROXY-, MONOSODIUM SALT",000135-53-5,4410831,"sodium 6,7-dihydroxynaphthalene-2-sulfonate",C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H8O5S.Na/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1",JFXDYPLHFRYDJD-UHFFFAOYSA-M,C10H7NaO5S,262.22,261.9911888,,106,352,0,2,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 6-HYDROXY-, MONOSODIUM SALT",000135-76-2,23667648,sodium 6-hydroxynaphthalene-2-sulfonate,C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[Na+],"InChI=1S/C10H8O4S.Na/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",ZPWQALCOMQRMRK-UHFFFAOYSA-M,C10H7NaO4S,246.22,245.9962742,,85.8,324,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENOL, 2,4-DINITRO-",000605-69-6,11802,"2,4-dinitronaphthalen-1-ol",C1=CC=C2C(=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H",FFRBMBIXVSCUFS-UHFFFAOYSA-N,C10H6N2O5,234.16,234.0276713,3.7,112,324,0,1,5,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(1-HYDROXY-2-NAPHTHALENYL)-",000711-79-5,69733,1-(1-hydroxynaphthalen-2-yl)ethanone,CC(=O)C1=C(C2=CC=CC=C2C=C1)O,"InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3",JBGJVMVWYWUVOW-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.8,37.3,224,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-NAPHTHALENEDISULFONIC ACID, 7-AMINO-, MONOPOTASSIUM SALT",000842-15-9,23677982,potassium 7-amino-3-sulfonaphthalene-1-sulfonate,C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)[O-])N.[K+],"InChI=1S/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1",GOPRYBNRWIBTIH-UHFFFAOYSA-M,C10H8KNO6S2,341.4,340.9430108,,154,537,0,2,7,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 3-METHOXY-",000883-62-5,70161,3-methoxynaphthalene-2-carboxylic acid,COC1=CC2=CC=CC=C2C=C1C(=O)O,"InChI=1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)",RTBQQRFTCVDODF-UHFFFAOYSA-N,C12H10O3,202.21,202.0629942,2.7,46.5,239,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER",000883-99-8,70163,methyl 3-hydroxynaphthalene-2-carboxylate,COC(=O)C1=CC2=CC=CC=C2C=C1O,"InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3",YVVBECLPRBAATK-UHFFFAOYSA-N,C12H10O3,202.21,202.0629942,3.2,46.5,239,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BUTANEDIONE, 4,4,4-TRIFLUORO-1-(2-NAPHTHALENYL)-",000893-33-4,70179,"4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione",C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2",WVVLURYIQCXPIV-UHFFFAOYSA-N,C14H9F3O2,266.21,266.055464,3.8,34.1,362,0,0,5,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 1-HYDROXY-, METHYL ESTER",000948-03-8,70358,methyl 1-hydroxynaphthalene-2-carboxylate,COC(=O)C1=C(C2=CC=CC=C2C=C1)O,"InChI=1S/C12H10O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7,13H,1H3",HMIBDRSTVGFJPB-UHFFFAOYSA-N,C12H10O3,202.21,202.0629942,3.2,46.5,239,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT",001655-35-2,74249,"disodium;naphthalene-2,7-disulfonate",C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",XOIWXJSPLXGSLZ-UHFFFAOYSA-L,C10H6Na2O6S2,332.3,331.9401188,,131,425,0,0,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT",001655-43-2,74250,"disodium;naphthalene-1,6-disulfonate",C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",FXJFYEOXUWERCL-UHFFFAOYSA-L,C10H6Na2O6S2,332.3,331.9401188,,131,471,0,0,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENOL, HYDROGEN SULFATE, POTASSIUM SALT",001733-89-7,2724416,potassium naphthalen-2-yl sulfate,C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)[O-].[K+],"InChI=1S/C10H8O4S.K/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1",SKROFUUKJBLLKJ-UHFFFAOYSA-M,C10H7KO4S,262.33,261.9702114,,74.8,311,0,0,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 7-BROMO-3-HYDROXY-",001779-11-9,74503,7-bromo-3-hydroxynaphthalene-2-carboxylic acid,C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br,"InChI=1S/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)",XZWXQSGFZHRDNB-UHFFFAOYSA-N,C11H7BrO3,267.07,265.95786,3.6,57.5,256,0,2,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENOL, DIHYDROGEN PHOSPHATE, MONOSODIUM SALT",002650-44-4,2114,sodium naphthalen-1-yl hydrogen phosphate,C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].[Na+],"InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1",DELRLFMUZXCKAR-UHFFFAOYSA-M,C10H8NaO4P,246.13,246.00579,,69.6,274,0,1,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENOL, 1-AMINO-",002834-92-6,14535,1-aminonaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2N)O,"InChI=1S/C10H9NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H,11H2",FHMMQQXRSYSWCM-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.7,46.3,160,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4,5-DIHYDROXY-, MONOSODIUM SALT",003888-44-6,23678880,"sodium 4,5-dihydroxy-7-sulfonaphthalene-2-sulfonate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-1",UPYOFRGSTDARPV-UHFFFAOYSA-M,C10H7NaO8S2,342.3,341.9480038,,169,563,0,3,8,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 5-(DIMETHYLAMINO)-",004272-77-9,1792,5-(dimethylamino)naphthalene-1-sulfonic acid,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O,"InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)",BBEQQKBWUHCIOU-UHFFFAOYSA-N,C12H13NO3S,251.3,251.0616145,2.2,66,360,0,1,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-, HYDRAZIDE",005341-58-2,72699,3-hydroxynaphthalene-2-carbohydrazide,C1=CC=C2C=C(C(=CC2=C1)C(=O)NN)O,"InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)",FDNAQCWUERCJBK-UHFFFAOYSA-N,C11H10N2O2,202.21,202.0742276,1.8,75.4,245,0,3,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENOL, 4-AMINO-, HYDROCHLORIDE",005959-56-8,2723858,4-aminonaphthalen-1-ol;hydrochloride,C1=CC=C2C(=C1)C(=CC=C2O)N.Cl,"InChI=1S/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H",FDBQTRARWCKEJY-UHFFFAOYSA-N,C10H10ClNO,195.64,195.0450916,,46.3,160,0,3,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 4-HYDROXY-, MONOSODIUM SALT",006099-57-6,4626046,sodium 4-hydroxynaphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+],"InChI=1S/C10H8O4S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",IAAKNVCARVEIFS-UHFFFAOYSA-M,C10H7NaO4S,246.22,245.9962742,,85.8,324,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 8-AMINO-, MONOSODIUM SALT",006322-37-8,23666733,sodium 8-aminonaphthalene-2-sulfonate,C1=CC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N.[Na+],"InChI=1S/C10H9NO3S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",GJYIHWVYSDKING-UHFFFAOYSA-M,C10H8NNaO3S,245.23,245.0122586,,91.6,327,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"NAPHTHALENE, 2-BUTOXY-",010484-56-7,82664,2-butoxynaphthalene,CCCCOC1=CC2=CC=CC=C2C=C1,"InChI=1S/C14H16O/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11H,2-3,10H2,1H3",CDMIQAIIIBPTRK-UHFFFAOYSA-N,C14H16O,200.28,200.1201151,4.7,9.2,178,0,0,1,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 6-(ACETYLOXY)-",017295-26-0,87038,6-acetyloxynaphthalene-2-carboxylic acid,CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O,"InChI=1S/C13H10O4/c1-8(14)17-12-5-4-9-6-11(13(15)16)3-2-10(9)7-12/h2-7H,1H3,(H,15,16)",NFTLBCXRDNIJMI-UHFFFAOYSA-N,C13H10O4,230.22,230.0579088,2.5,63.6,313,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6-NAPHTHALENETRISULFONIC ACID, SODIUM SALT",019437-42-4,23678425,"sodium 3,6-disulfonaphthalene-1-sulfonate",C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1",BERQWQSQOIEUMA-UHFFFAOYSA-M,C10H7NaO9S3,390.3,389.9149896,,191,726,0,2,9,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENOL, DIHYDROGEN PHOSPHATE, DISODIUM SALT",031681-98-8,169346,disodium;naphthalen-2-yl hydrogen phosphate,C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+].[Na+],"InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-1",HZCLXKFIXXQHKE-UHFFFAOYSA-M,C10H8Na2O4P+,269.12,268.9955593,,69.6,260,1,1,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DINONYLNAPHTHALENESULFONIC ACID CALCIUM SALT,057855-77-3,93828,"calcium 2,3-di(nonyl)naphthalene-1-sulfonate",CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ca+2],"InChI=1S/C28H44O3S.Ca/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+2/p-1",BMPUQEWIPPPIEJ-UHFFFAOYSA-M,C28H43CaO3S+,499.8,499.2558823,,65.6,554,1,0,3,16,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-NAPHTHALENOL, 5-AMINO-, HYDROCHLORIDE",063134-21-4,113052,5-aminonaphthalen-1-ol;hydrochloride,C1=CC2=C(C=CC=C2O)C(=C1)N.Cl,"InChI=1S/C10H9NO.ClH/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;/h1-6,12H,11H2;1H",LEPLYMVBUQERLB-UHFFFAOYSA-N,C10H10ClNO,195.64,195.0450916,,46.3,160,0,3,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-NAPHTHALENETRISULFONIC ACID, 7-AMINO-, TRISODIUM SALT",067815-69-4,105678,"trisodium;7-aminonaphthalene-1,3,5-trisulfonate",C1=C(C=C(C2=C1C(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+],"InChI=1S/C10H9NO9S3.3Na/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3",KOCPUFFMRLCYDL-UHFFFAOYSA-K,C10H6NNa3O9S3,449.3,448.8897771,,223,716,0,1,10,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, BIS(1-METHYLETHYL)-, AMMONIUM SALT",068425-60-5,162216,"azanium 2,3-di(propan-2-yl)naphthalene-1-sulfonate",CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].[NH4+],"InChI=1S/C16H20O3S.H3N/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);1H3",CCIFHODZBDSCOI-UHFFFAOYSA-N,C16H23NO3S,309.4,309.1398648,,66.6,408,0,1,3,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, DINONYL-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL (1",068833-67-0,73556542,"3,6-di(nonyl)naphthalene-1-sulfonate;(1-hydroxy-2-methylpropan-2-yl)azanium",CCCCCCCCCC1=CC2=C(C=C1)C(=CC(=C2)CCCCCCCCC)S(=O)(=O)[O-].CC(C)(CO)[NH3+],"InChI=1S/C28H44O3S.C4H11NO/c1-3-5-7-9-11-13-15-17-24-19-20-27-26(21-24)22-25(23-28(27)32(29,30)31)18-16-14-12-10-8-6-4-2;1-4(2,5)3-6/h19-23H,3-18H2,1-2H3,(H,29,30,31);6H,3,5H2,1-2H3",GWMSFWOBWYKEKH-UHFFFAOYSA-N,C32H55NO4S,549.8,549.3851804,,113,597,0,2,4,17,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-NAPHTHALENESULFONIC ACID, 5-HYDROXY-, SODIUM SALT",079873-34-0,23664362,sodium 5-hydroxynaphthalene-1-sulfonate,C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)O.[Na+],"InChI=1S/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",HWQLBKMVMXBGRC-UHFFFAOYSA-M,C10H7NaO4S,246.22,245.9962742,,85.8,324,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-1-NAPHTHYLAMINE HYDROCHLORIDE,,21191510,N-methylnaphthalen-1-amine;hydrochloride,CNC1=CC=CC2=CC=CC=C21.Cl,"InChI=1S/C11H11N.ClH/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,1H3;1H",ALZGTEASAJRPTL-UHFFFAOYSA-N,C11H12ClN,193.67,193.0658271,,12,144,0,2,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-, (E)-, mo",078628-80-5,5282481,"(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride",CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.Cl,"InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;",BWMISRWJRUSYEX-SZKNIZGXSA-N,C21H26ClN,327.9,327.1753775,,3.2,428,0,1,1,5,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-NAPHTHALENETRISULFONIC ACID, 7-AMINO-",027310-25-4,105679,"7-aminonaphthalene-1,3,5-trisulfonic acid",C1=C(C=C(C2=C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",HKTWHHAJDJCUPC-UHFFFAOYSA-N,C10H9NO9S3,383.4,382.9439444,-1.3,214,756,0,4,10,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-NAPHTHALENE DIISOCYANATE",003173-72-6,18503,"1,5-diisocyanatonaphthalene",C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O,InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H,SBJCUZQNHOLYMD-UHFFFAOYSA-N,C12H6N2O2,210.19,210.0429274,4.8,58.9,309,0,0,4,2,16,"311 °F (NIOSH, 2024)","505 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, NICKEL(2+) SALT (1:1)",072319-19-8,44148666,"naphthalene-2,7-disulfonate;nickel(2+)",C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ni+2],"InChI=1S/C10H8O6S2.Ni/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+2/p-2",WKQJGLOSRJVIQB-UHFFFAOYSA-L,C10H6NiO6S2,345,343.895922,,131,425,0,0,6,0,19,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
FLAVIANIC ACID DISODIUM,000846-70-8,2724063,"disodium;5,7-dinitro-8-oxidonaphthalene-2-sulfonate",C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+],"InChI=1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2",CTIQLGJVGNGFEW-UHFFFAOYSA-L,C10H4N2Na2O8S,358.19,357.9483748,,180,519,0,0,8,0,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"1-NAPHTHALENESULFONIC ACID, 5,6-DIAMINO-",000084-92-4,66545,"5,6-diaminonaphthalene-1-sulfonic acid",C1=CC2=C(C=CC(=C2N)N)C(=C1)S(=O)(=O)O,"InChI=1S/C10H10N2O3S/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)",AWXNJVXWJMGHMQ-UHFFFAOYSA-N,C10H10N2O3S,238.27,238.0412134,0.6,115,352,0,3,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO",000093-00-5,7116,6-aminonaphthalene-2-sulfonic acid,C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N,"InChI=1S/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14)",SEMRCUIXRUXGJX-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,-0.1,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID",000128-97-2,31422,"naphthalene-1,4,5,8-tetracarboxylic acid",C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",OLAPPGSPBNVTRF-UHFFFAOYSA-N,C14H8O8,304.21,304.0219172,1.3,149,423,0,4,8,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"NAPHTHALENE, 2-(1-METHYLETHYL)-",002027-17-0,16238,2-propan-2-ylnaphthalene,CC(C)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3",TVYVQNHYIHAJTD-UHFFFAOYSA-N,C13H14,170.25,170.1095504,4.6,0,159,0,0,0,1,13,122 °C,268.2 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENESULFONAMIDE, 6-AMINO-N-METHYL-",104295-55-8,3034961,6-amino-N-methylnaphthalene-2-sulfonamide,CNS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)N,"InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3",RBQODZRXIYFUJS-UHFFFAOYSA-N,C11H12N2O2S,236.29,236.0619488,1.5,80.6,336,0,2,4,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"1,8-DIHYDROXYNAPHTHALENE",000569-42-6,68438,"naphthalene-1,8-diol",C1=CC2=C(C(=C1)O)C(=CC=C2)O,"InChI=1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H",OENHRRVNRZBNNS-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.8,40.5,142,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
B-NAPHTHYL ACETATE,001523-11-1,73709,naphthalen-2-yl acetate,CC(=O)OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3",RJNPPEUAJCEUPV-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.7,26.3,212,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 2-AMINO-",000117-62-4,8338,"2-aminonaphthalene-1,5-disulfonic acid",C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O,"InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",YAIKCRUPEVOINQ-UHFFFAOYSA-N,C10H9NO6S2,303.3,302.9871294,0.5,152,531,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENOL, 2-AMINO-, HYDROCHLORIDE",041772-23-0,12999318,2-aminonaphthalen-1-ol;hydrochloride,C1=CC=C2C(=C1)C=CC(=C2O)N.Cl,"InChI=1S/C10H9NO.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h1-6,12H,11H2;1H",PEJOQASNBCUDMB-UHFFFAOYSA-N,C10H10ClNO,195.64,195.0450916,,46.3,160,0,3,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-1-NAPHTHALENESULFONIC ACID,000081-16-3,6670,2-aminonaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,"InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)",GWIAAIUASRVOIA-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.8,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"7-HYDROXY-1,3-NAPHTHALENEDISULFONIC ACID DIPOTASSIUM SALT",000842-18-2,70050,"dipotassium;7-hydroxynaphthalene-1,3-disulfonate",C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[K+].[K+],"InChI=1S/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",LKDMVWRBMGEEGR-UHFFFAOYSA-L,C10H6K2O7S2,380.5,379.8829078,,151,501,0,1,7,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2,7-DIBROMONAPHTHALENE",058556-75-5,625355,"2,7-dibromonaphthalene",C1=CC(=CC2=C1C=CC(=C2)Br)Br,InChI=1S/C10H6Br2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,ODJZWBLNJKNOJK-UHFFFAOYSA-N,C10H6Br2,285.96,285.88158,4.6,0,142,0,0,0,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 3-AMINO-5-HYDROXY-",000090-40-4,66658,"3-amino-5-hydroxynaphthalene-2,7-disulfonic acid",C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)O)N)S(=O)(=O)O,"InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",VNWVMZDJPMCAKD-UHFFFAOYSA-N,C10H9NO7S2,319.3,318.982044,0.2,172,561,0,4,8,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 3-AMINO-",000131-27-1,8563,"3-aminonaphthalene-1,5-disulfonic acid",C1=CC2=C(C=C(C=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O,"InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",MTJGVAJYTOXFJH-UHFFFAOYSA-N,C10H9NO6S2,303.3,302.9871294,0,152,531,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-HYDROXY-, MONOPOTASSIUM SALT",000833-66-9,23677963,potassium 6-hydroxynaphthalene-2-sulfonate,C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+],"InChI=1S/C10H8O4S.K/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",PZWWSVPMGHDZNJ-UHFFFAOYSA-M,C10H7KO4S,262.33,261.9702114,,85.8,324,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-HYDROXY-, DISODIUM SALT",000842-19-3,70051,"disodium;7-hydroxynaphthalene-1,3-disulfonate",C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C10H8O7S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",IEXIPYCHASVPFD-UHFFFAOYSA-L,C10H6Na2O7S2,348.3,347.9350334,,151,501,0,1,7,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 3-AMINO-, MONOSODIUM SALT",004681-22-5,23673646,sodium 3-amino-5-sulfonaphthalene-1-sulfonate,C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])N)C(=C1)S(=O)(=O)O.[Na+],"InChI=1S/C10H9NO6S2.Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1",AXTIFEPCSRBRNK-UHFFFAOYSA-M,C10H8NNaO6S2,325.3,324.9690736,,154,537,0,2,7,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 3-AMINO-, SODIUM SALT",052085-24-2,84232,"disodium;3-aminonaphthalene-1,5-disulfonate",C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",UZUODNWWWUQRIR-UHFFFAOYSA-L,C10H7NNa2O6S2,347.3,346.9510179,,157,505,0,1,7,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-AMINO-5-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID, SODIUM SALT",053891-22-8,171307,"disodium;3-amino-5-hydroxynaphthalene-2,7-disulfonate",C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)[O-])O)N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H9NO7S2.2Na/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",BIHQVEVABUOWCW-UHFFFAOYSA-L,C10H7NNa2O7S2,363.3,362.9459325,,177,535,0,2,8,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENESULFONIC ACID, DIISONONYL-, AMMONIUM SALT",063568-29-6,163010,"azanium 2,3-bis(7-methyloctyl)naphthalene-1-sulfonate",CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)[O-].[NH4+],"InChI=1S/C28H44O3S.H3N/c1-22(2)15-9-5-7-11-17-24-21-25-18-13-14-20-27(25)28(32(29,30)31)26(24)19-12-8-6-10-16-23(3)4;/h13-14,18,20-23H,5-12,15-17,19H2,1-4H3,(H,29,30,31);1H3",LYVKNUPGNZFUHV-UHFFFAOYSA-N,C28H47NO3S,477.7,477.3276655,,66.6,579,0,1,3,14,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
NAPROPAMIDE,015299-99-7,27189,"N,N-diethyl-2-naphthalen-1-yloxypropanamide",CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21,"InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3",WXZVAROIGSFCFJ-UHFFFAOYSA-N,C17H21NO2,271.35,271.1572289,3.4,29.5,314,0,0,2,5,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID HYDRATE",,66776672,"naphthalene-1,4,5,8-tetracarboxylic acid;hydrate",C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O.O,"InChI=1S/C14H8O8.H2O/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1H2",JOTVGKXYQGCQDO-UHFFFAOYSA-N,C14H10O9,322.22,322.0324819,,150,423,0,5,9,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, SODIUM SALT",000130-14-3,23661867,sodium naphthalene-1-sulfonate,C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+],"InChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1",HIEHAIZHJZLEPQ-UHFFFAOYSA-M,C10H7NaO3S,230.22,230.0013595,,65.6,296,0,0,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-BIS(2-CHLOROETHYL)-2-NAPHTHYLAMINE",000494-03-1,10307,"N,N-bis(2-chloroethyl)naphthalen-2-amine",C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl,"InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2",XCDXSSFOJZZGQC-UHFFFAOYSA-N,C14H15Cl2N,268.2,267.0581549,4.5,3.2,216,0,0,1,5,17,,"410 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
L-LEUCINE B-NAPHTHYLAMIDE HYDROCHLORIDE,000893-36-7,16219549,(2S)-2-amino-4-methyl-N-naphthalen-2-ylpentanamide;hydrochloride,CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N.Cl,"InChI=1S/C16H20N2O.ClH/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19);1H/t15-;/m0./s1",HTHKKWZMEVJWQF-RSAXXLAASA-N,C16H21ClN2O,292.8,292.134241,,55.1,303,0,3,2,4,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NITRONAPHTHALENE,000581-89-5,11392,2-nitronaphthalene,C1=CC=C2C=C(C=CC2=C1)[N+](=O)[O-],InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,ZJYJZEAJZXVAMF-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,3.3,45.8,200,0,0,2,0,13,,304 °C,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHYLENEDIAMINE",002243-62-1,16720,"naphthalene-1,5-diamine",C1=CC2=C(C=CC=C2N)C(=C1)N,"InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2",KQSABULTKYLFEV-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.1,52,140,0,2,2,0,12,226 °C,"Sublimes (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, HEPTACHLORO-",032241-08-0,107818,"1,2,3,4,5,6,7-heptachloronaphthalene",C1=C2C(=C(C(=C1Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C10HCl7/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12/h1H,NDZIBNJHNBUHKW-UHFFFAOYSA-N,C10HCl7,369.3,367.786844,7.6,0,286,0,0,0,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
HEXACHLORONAPHTHALENE,001335-87-1,108177,"1,2,3,4,5,6-hexachloronaphthalene",C1=CC(=C(C2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C10H2Cl6/c11-4-2-1-3-5(7(4)13)8(14)10(16)9(15)6(3)12/h1-2H,CTLMCQOGOWNFHA-UHFFFAOYSA-N,C10H2Cl6,334.8,333.825816,6.9,0,260,0,0,0,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-DIMETHYLNAPHTHALENE",000575-41-7,11327,"1,3-dimethylnaphthalene",CC1=CC2=CC=CC=C2C(=C1)C,"InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3",QHJMFSMPSZREIF-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,150,0,0,0,0,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYLNAPHTHALENE",000581-42-0,11387,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",YGYNBBAUIYTWBF-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.3,0,132,0,0,0,0,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXY-1-NAPHTHALDEHYDE,000708-06-5,12819,2-hydroxynaphthalene-1-carbaldehyde,C1=CC=C2C(=C1)C=CC(=C2C=O)O,"InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H",NTCCNERMXRIPTR-UHFFFAOYSA-N,C11H8O2,172.18,172.0524295,2.8,37.3,191,0,1,2,1,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHOXYNAPHTHALENE,000093-04-9,7119,2-methoxynaphthalene,COC1=CC2=CC=CC=C2C=C1,"InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3",LUZDYPLAQQGJEA-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,3.5,9.2,144,0,0,1,1,12,,274.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLNAPHTHALENE,000939-27-5,13652,2-ethylnaphthalene,CCC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3",RJTJVVYSTUQWNI-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,139,0,0,0,1,12,"220 °F (NTP, 1992)","496 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ETHYLNAPHTHALENE,001127-76-0,14315,1-ethylnaphthalene,CCC1=CC=CC2=CC=CC=C21,"InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3",ZMXIYERNXPIYFR-UHFFFAOYSA-N,C12H12,156.22,156.0939004,4.4,0,139,0,0,0,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-METHOXYNAPHTHALENE,002216-69-5,16668,1-methoxynaphthalene,COC1=CC=CC2=CC=CC=C21,"InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3",NQMUGNMMFTYOHK-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,3.6,9.2,144,0,0,1,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-AMINO-2-NAPHTHALENESULFONIC ACID,000119-79-9,8408,5-aminonaphthalene-2-sulfonic acid,C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N,"InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)",UWPJYQYRSWYIGZ-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,-0.1,88.8,322,0,2,4,1,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalenemethanol, alpha-((isopropylamino)methyl)-, hydrochloride",51-02-5,60975,1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol;hydrochloride,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,"InChI=1S/C15H19NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15-17H,10H2,1-2H3;1H",QONLGXRPRAIDGI-UHFFFAOYSA-N,C15H20ClNO,265.78,265.123342,,32.3,229,0,3,2,4,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-Naphthalenediol, 2,6-dibromo-",84-59-3,96260,"2,6-dibromonaphthalene-1,5-diol",C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br,"InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H",GHJUWGHWJYULLK-UHFFFAOYSA-N,C10H6Br2O2,317.96,317.87141,3.8,40.5,190,0,2,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthalenediol, 2-methyl-",481-85-6,10209,"2-methylnaphthalene-1,4-diol",CC1=C(C2=CC=CC=C2C(=C1)O)O,"InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3",ZJTLZYDQJHKRMQ-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,2.8,40.5,181,0,2,2,0,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthol, 1-nitro-",550-60-7,11075,1-nitronaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])O,"InChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H",SSHIVHKMGVBXTJ-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,3.2,66.1,226,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthalenediol, 2-methyl-, diacetate",573-20-6,11310,(4-acetyloxy-3-methylnaphthalen-1-yl) acetate,CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C,"InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3",RYWSYCQQUDFMAU-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3,52.6,352,0,0,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-2-naphthyl-",581-97-5,11394,N-naphthalen-2-ylacetamide,CC(=O)NC1=CC2=CC=CC=C2C=C1,"InChI=1S/C12H11NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,13,14)",DIEOESIZLAHURK-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.7,29.1,214,0,1,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthol, 4-nitroso-",605-60-7,69064,4-nitrosonaphthalen-1-ol,C1=CC=C2C(=C1)C(=CC=C2O)N=O,"InChI=1S/C10H7NO2/c12-10-6-5-9(11-13)7-3-1-2-4-8(7)10/h1-6,12H",ZVNOVIBCAIDQOE-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,2.7,49.7,195,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthylamine, 1-nitro-",606-57-5,11823,1-nitronaphthalen-2-amine,C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])N,"InChI=1S/C10H8N2O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12(13)14/h1-6H,11H2",JNWGFQCTJCIODS-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,2.9,71.8,227,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthylamine, hydrochloride",612-52-2,12208544,naphthalen-2-amine;hydrochloride,C1=CC=C2C=C(C=CC2=C1)N.Cl,"InChI=1S/C10H9N.ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,11H2;1H",QKGIPGSKJBOHSL-UHFFFAOYSA-N,C10H10ClN,179.64,179.050177,,26,133,0,2,1,0,12,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthol, 1-chloro-",633-99-8,12459,1-chloronaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2Cl)O,"InChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H",RMSOEGBYNWXXBG-UHFFFAOYSA-N,C10H7ClO,178.61,178.0185425,3.4,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Naphthylamine, 4-nitro-",776-34-1,13057,4-nitronaphthalen-1-amine,C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N,"InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2",BVPJPRYNQHAOPQ-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,2.1,71.8,227,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Naphthylenediamine",938-25-0,13648,"naphthalene-1,2-diamine",C1=CC=C2C(=C1)C=CC(=C2N)N,"InChI=1S/C10H10N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,11-12H2",NTNWKDHZTDQSST-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.8,52,158,0,2,2,0,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroxylamine, N-1-naphthyl-N-nitroso-, ammonium salt",1013-20-3,135901587,azane;(Z)-hydroxyimino-naphthalen-1-yl-oxidoazanium,C1=CC=C2C(=C1)C=CC=C2/[N+](=N/O)/[O-].N,"InChI=1S/C10H8N2O2.H3N/c13-11-12(14)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,13H;1H3/b12-11-;",IRNUOFTVXUWLLR-AFEZEDKISA-N,C10H11N3O2,205.21,205.0851266,,62.3,230,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Naphthalene, 1-isocyano-",4/9/84,16122,1-isocyanonaphthalene,[C-]#[N+]C1=CC=CC2=CC=CC=C21,InChI=1S/C11H7N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,PTCSLGONLAYNQB-UHFFFAOYSA-N,C11H7N,153.18,153.0578492,3.3,4.4,200,0,0,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthol, 1-iodo-",2033-42-3,16250,1-iodonaphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2I)O,"InChI=1S/C10H7IO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H",JEVGGOSILOIIHN-UHFFFAOYSA-N,C10H7IO,270.07,269.95416,3.5,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Naphthalene, 2-isocyanato-",2243-54-1,16718,2-isocyanatonaphthalene,C1=CC=C2C=C(C=CC2=C1)N=C=O,InChI=1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,XIXJQNFTNSQTBT-UHFFFAOYSA-N,C11H7NO,169.18,169.0527638,3.7,29.4,220,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1,4-Naphthalenediamine",2243-61-0,16719,"naphthalene-1,4-diamine",C1=CC=C2C(=C1)C(=CC=C2N)N,"InChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2",OKBVMLGZPNDWJK-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2,52,140,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthylamine, 2-methyl-",2246-44-8,16733,2-methylnaphthalen-1-amine,CC1=C(C2=CC=CC=C2C=C1)N,"InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3",JMBLSGAXSMOKPN-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,2.9,26,155,0,1,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthaleneacetic acid, methyl ester",2876-78-0,17891,methyl 2-naphthalen-1-ylacetate,COC(=O)CC1=CC=CC2=CC=CC=C21,"InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3",YGGXZTQSGNFKPJ-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.1,26.3,225,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malononitrile, (1-naphthylmethylene)-",2972-83-0,18092,2-(naphthalen-1-ylmethylidene)propanedinitrile,C1=CC=C2C(=C1)C=CC=C2C=C(C#N)C#N,InChI=1S/C14H8N2/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-8H,HNVAUTUJXUMGPH-UHFFFAOYSA-N,C14H8N2,204.23,204.0687483,3.2,47.6,358,0,0,2,1,16,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(2-naphthyl)-2-thio-",4/5/94,2829258,naphthalen-2-ylthiourea,C1=CC=C2C=C(C=CC2=C1)NC(=S)N,"InChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)",JCGVEGFEGJLZDW-UHFFFAOYSA-N,C11H10N2S,202.28,202.0564695,2.7,70.1,217,0,2,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenecarboxaldehyde, 6-methoxy-",3453-33-6,76991,6-methoxynaphthalene-2-carbaldehyde,COC1=CC2=C(C=C1)C=C(C=C2)C=O,"InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3",VZBLASFLFFMMCM-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.9,26.3,202,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Naphthaleneethylamine,4735-50-6,20853,2-naphthalen-1-ylethanamine,C1=CC=C2C(=C1)C=CC=C2CCN,"InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2",RUJHATQMIMUYKD-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,2.9,26,155,0,1,1,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthylamine, 3-methyl-, hydrochloride",5096-18-4,138399725,3-methylnaphthalen-2-amine;hydrochloride,CC1=CC2=CC=CC=C2C=C1N.Cl,"InChI=1S/C11H11N.ClH/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-7H,12H2,1H3;1H",VBKWOFQKNFMGPR-UHFFFAOYSA-N,C11H12ClN,193.67,193.0658271,,26,155,0,2,1,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthaleneacetic acid, 4-bromo-",5438-74-4,21577,2-(4-bromonaphthalen-1-yl)acetic acid,C1=CC=C2C(=C1)C(=CC=C2Br)CC(=O)O,"InChI=1S/C12H9BrO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15)",VIMWRMDQHHYVOY-UHFFFAOYSA-N,C12H9BrO2,265.1,263.97859,3.3,37.3,242,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1-(naphthylmethyl)-, hydrochloride",6047-71-8,54602734,2-(naphthalen-1-ylmethyl)guanidine;hydrochloride,C1=CC=C2C(=C1)C=CC=C2CN=C(N)N.Cl,"InChI=1S/C12H13N3.ClH/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H4,13,14,15);1H",NTSSUHAQSUMJCK-UHFFFAOYSA-N,C12H14ClN3,235.71,235.0876252,,64.4,233,0,3,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenecarboxamide, N-hydroxy-",6953-61-3,23382,N-hydroxynaphthalene-1-carboxamide,C1=CC=C2C(=C1)C=CC=C2C(=O)NO,"InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)",JRZGPWOEHDOVMC-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,2.4,49.3,217,0,2,2,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 3-((ethoxycarbonyl)methyl)-1-(1-naphthyl)-",7684-76-6,202191,ethyl 2-(naphthalen-1-ylcarbamoylamino)acetate,CCOC(=O)CNC(=O)NC1=CC=CC2=CC=CC=C21,"InChI=1S/C15H16N2O3/c1-2-20-14(18)10-16-15(19)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,16,17,19)",UWNUTWBFIPHSRX-UHFFFAOYSA-N,C15H16N2O3,272.3,272.1160924,2.5,67.4,346,0,2,3,5,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, 1-(1-naphthyloxy)-",13917-61-8,99326,1-naphthalen-1-yloxypropan-2-one,CC(=O)COC1=CC=CC2=CC=CC=C21,"InChI=1S/C13H12O2/c1-10(14)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3",XLBISEPPFPYRSE-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3,26.3,225,0,0,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthol, 1,6-dibromo-",16239-18-2,27768,"1,6-dibromonaphthalen-2-ol",C1=CC2=C(C=CC(=C2Br)O)C=C1Br,"InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H",VKESFYLPKHQOOA-UHFFFAOYSA-N,C10H6Br2O,301.96,301.87649,4.2,20.2,186,0,1,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiocyanic acid, 2-naphthoylmethyl ester",19339-62-9,97110,(2-naphthalen-2-yl-2-oxoethyl) thiocyanate,C1=CC=C2C=C(C=CC2=C1)C(=O)CSC#N,"InChI=1S/C13H9NOS/c14-9-16-8-13(15)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8H2",FGMSBOSKVIWYEW-UHFFFAOYSA-N,C13H9NOS,227.28,227.0404851,3.6,66.2,306,0,0,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthaleneacetic acid, 6-methoxy-",23981-47-7,32176,2-(6-methoxynaphthalen-2-yl)acetic acid,COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O,"InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)",PHJFLPMVEFKEPL-UHFFFAOYSA-N,C13H12O3,216.23,216.0786442,2.6,46.5,252,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenecarbamic acid, 2-chloroethyl ester",25216-25-5,32839,2-chloroethyl N-naphthalen-1-ylcarbamate,C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCCl,"InChI=1S/C13H12ClNO2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)",BHDGESYSXSAAFK-UHFFFAOYSA-N,C13H12ClNO2,249.69,249.0556563,2.6,38.3,260,0,1,2,4,17,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, (1-naphthyl)-, 2-(bromoethyl) ester",25216-26-6,32840,2-bromoethyl N-naphthalen-1-ylcarbamate,C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCBr,"InChI=1S/C13H12BrNO2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)",DVYNYOIFPWKKHB-UHFFFAOYSA-N,C13H12BrNO2,294.14,293.00514,2.8,38.3,260,0,1,2,4,17,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene, dinitro-",27478-34-8,612684,"1,2-dinitronaphthalene",C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C10H6N2O4/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h1-6H,XNKFCDGEFCOQOM-UHFFFAOYSA-N,C10H6N2O4,218.17,218.0327567,2.8,91.6,296,0,0,4,0,16,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"1,2-Propanediol, 3-(1-naphthyloxy)-",36112-95-5,37369,"3-naphthalen-1-yloxypropane-1,2-diol",C1=CC=C2C(=C1)C=CC=C2OCC(CO)O,"InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2",BYNNMWGWFIGTIC-UHFFFAOYSA-N,C13H14O3,218.25,218.0942943,1.9,49.7,207,0,2,3,4,16,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene, 1-bromo-2-bromomethyl-",37763-43-2,37828,1-bromo-2-(bromomethyl)naphthalene,C1=CC=C2C(=C1)C=CC(=C2Br)CBr,"InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2",DQTOCXIHYIQHCK-UHFFFAOYSA-N,C11H8Br2,299.99,299.89723,4.4,0,169,0,0,0,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenecarbonitrile, 4-amino-",58728-64-6,42828,4-aminonaphthalene-1-carbonitrile,C1=CC=C2C(=C1)C(=CC=C2N)C#N,"InChI=1S/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2",LUSIZUFVMKYWGX-UHFFFAOYSA-N,C11H8N2,168.19,168.0687483,2.2,49.8,227,0,1,2,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthol, bromo-",63980-30-3,45943,3-bromonaphthalen-2-ol,C1=CC=C2C=C(C(=CC2=C1)O)Br,"InChI=1S/C10H7BrO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H",PQVIOPAWVAOHOA-UHFFFAOYSA-N,C10H7BrO,223.07,221.96803,3.5,20.2,160,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 3,3'-(1,5-naphthylene)bis(1,1-dimethyl-",73019-17-7,99645,"3-[5-(dimethylcarbamoylamino)naphthalen-1-yl]-1,1-dimethylurea",CN(C)C(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)N(C)C,"InChI=1S/C16H20N4O2/c1-19(2)15(21)17-13-9-5-8-12-11(13)7-6-10-14(12)18-16(22)20(3)4/h5-10H,1-4H3,(H,17,21)(H,18,22)",UETWDALPWUJVBV-UHFFFAOYSA-N,C16H20N4O2,300.36,300.1586259,1.5,64.7,373,0,2,2,2,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(2-aminoethyl)-2-(1-naphthyl)-, hydrochloride",73664-32-1,3056271,N-(2-aminoethyl)-2-naphthalen-1-ylacetamide;hydrochloride,C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCN.Cl,"InChI=1S/C14H16N2O.ClH/c15-8-9-16-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12;/h1-7H,8-10,15H2,(H,16,17);1H",PERIBNMFKALPTM-UHFFFAOYSA-N,C14H17ClN2O,264.75,264.1029409,,55.1,255,0,3,2,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Naphthalene, 1,2,3,4,6,7-hexabromo-",75625-24-0,53288,"1,2,3,4,6,7-hexabromonaphthalene",C1=C2C(=CC(=C1Br)Br)C(=C(C(=C2Br)Br)Br)Br,InChI=1S/C10H2Br6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H,GTFBYYPAXJKCMP-UHFFFAOYSA-N,C10H2Br6,601.5,601.51953,7.3,0,234,0,0,0,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthalenemethanol, 6-methoxy-alpha-methyl-",77301-42-9,575523,1-(6-methoxynaphthalen-2-yl)ethanol,CC(C1=CC2=C(C=C1)C=C(C=C2)OC)O,"InChI=1S/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3",OUVJWFRUESFCCY-UHFFFAOYSA-N,C13H14O2,202.25,202.0993797,2.8,29.5,205,0,1,2,2,15,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-((1-methylethyl)nitrosoamino)-3-(1-naphthalenyloxy)-",84418-35-9,128614,N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylnitrous amide,CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)N=O,"InChI=1S/C16H20N2O3/c1-12(2)18(17-20)10-14(19)11-21-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,19H,10-11H2,1-2H3",TXYRHXNLIUKPMM-UHFFFAOYSA-N,C16H20N2O3,288.34,288.1473925,3.4,62.1,325,0,1,5,6,21,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthalenecarboximidamide, 6-(acetyloxy)-, monomethanesulfonate",84729-68-0,193409,naphthalene-2-carboximidamide,C1=CC=C2C=C(C=CC2=C1)C(=N)N,"InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)",URXJHZXEUUFNKM-UHFFFAOYSA-N,C11H10N2,170.21,170.0843983,2.7,49.9,200,0,2,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-, (E)-",91161-71-6,1549008,"(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine",CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+",DOMXUEMWDBAQBQ-WEVVVXLNSA-N,C21H25N,291.4,291.1986998,5.6,3.2,428,0,0,1,5,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"1-Naphthalenecarboxamide, N,N-diethyl-3-phenyl-",92566-44-4,75244,naphthalene-1-carboxamide,C1=CC=C2C(=C1)C=CC=C2C(=O)N,"InChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)",RMHJJUOPOWPRBP-UHFFFAOYSA-N,C11H9NO,171.19,171.0684139,2.4,43.1,202,0,1,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(1-hydroxy-2-butyl)-3-(1-naphthyl)-",100957-91-3,293444,1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea,CCC(CO)NC(=O)NC1=CC=CC2=CC=CC=C21,"InChI=1S/C15H18N2O2/c1-2-12(10-18)16-15(19)17-14-9-5-7-11-6-3-4-8-13(11)14/h3-9,12,18H,2,10H2,1H3,(H2,16,17,19)",DVNVWLNMDUURTB-UHFFFAOYSA-N,C15H18N2O2,258.32,258.1368278,1.7,61.4,296,0,3,2,4,19,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(2-methoxyethyl)-3-(1-naphthyl)-",102613-39-8,282484,1-(2-methoxyethyl)-3-naphthalen-1-ylurea,COCCNC(=O)NC1=CC=CC2=CC=CC=C21,"InChI=1S/C14H16N2O2/c1-18-10-9-15-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H2,15,16,17)",VPRVZGBEURQCEE-UHFFFAOYSA-N,C14H16N2O2,244.29,244.1211778,1.3,50.4,271,0,2,2,4,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-",138112-76-2,82148,N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide,CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",YJYPHIXNFHFHND-UHFFFAOYSA-N,C15H17NO2,243.3,243.1259288,2.7,38.3,280,0,1,2,4,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 4-(nitrooxy)butyl ester, (S)-",163133-43-5,9884642,4-nitrooxybutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=O)[O-],"InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1",AKFJWRDCWYYTIG-ZDUSSCGKSA-N,C18H21NO6,347.4,347.1368874,4.1,90.6,438,0,0,6,9,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Naphthaleneethanamine, N-hydroxy-N-methyl-7-propoxy-, 2-hydroxy-1,2,3-propanetricarboxylate",,3784378,2-naphthalen-2-ylethanamine,C1=CC=C2C=C(C=CC2=C1)CCN,"InChI=1S/C12H13N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8,13H2",ZOBYXAWBGJRPRG-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,2.9,26,155,0,1,1,2,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthalenepropanoic acid, decahydro-5,5,8a-trimethyl-2-methylene-, (1S,4aS,8aS)-",,95254,3-naphthalen-1-ylpropanoic acid,C1=CC=C2C(=C1)C=CC=C2CCC(=O)O,"InChI=1S/C13H12O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,14,15)",PRLKVVMRQFFIOQ-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.4,37.3,225,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenesulfonamide, N-((3-(aminoiminomethyl)phenylmethyl)(1-azepanylcarbonyl)amino)-",,232997,naphthalene-2-sulfonamide,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N,"InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)",SWBLLSQMOMPTMC-UHFFFAOYSA-N,C10H9NO2S,207.25,207.0353997,0.4,68.5,294,0,1,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,6-Naphthalenetrisulfonic acid, 8-amino-, disodium salt",,13152118,"disodium;8-amino-6-sulfonaphthalene-1,3-disulfonate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C10H9NO9S3.2Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",KHJANRFXWPPWEL-UHFFFAOYSA-L,C10H7NNa2O9S3,427.3,426.9078329,,220,729,0,2,10,1,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,2-DIMETHYLCYCLOHEXANE",006876-23-9,23313,"trans-(1R,2R)-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@H]1C,"InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1",KVZJLSYJROEPSQ-HTQZYQBOSA-N,C8H16,112.21,112.1252005,3.8,0,56,0,0,0,0,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
CYCLOHEXANE,000110-82-7,8078,cyclohexane,C1CCCCC1,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,XDTMQSROBMDMFD-UHFFFAOYSA-N,C6H12,84.16,84.09390038,3.4,0,15,0,0,0,0,6,"-4 °F (NTP, 1992)","177.3 °F at 760 mmHg (NTP, 1992)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
FLUOROCYCLOHEXANE,000372-46-3,78988,fluorocyclohexane,C1CCC(CC1)F,"InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2",GOBGVVAHHOUMDK-UHFFFAOYSA-N,C6H11F,102.15,102.0844785,2.8,0,46,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANE-D12,001735-17-7,123129,"1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane",[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2",XDTMQSROBMDMFD-LBTWDOQPSA-N,C6H12,96.23,96.16922133,3.4,0,15,0,0,0,0,6,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,3-TRIMETHYLCYCLOHEXANE",003073-66-3,18309,"1,1,3-trimethylcyclohexane",CC1CCCC(C1)(C)C,"InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3",PYOLJOJPIPCRDP-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.1,0,92,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOHEXANE-D14,010120-28-2,524602,"1,1,2,2,3,3,4,4,5,5,6-undecadeuterio-6-(trideuteriomethyl)cyclohexane",[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C([2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D",UAEPNZWRGJTJPN-OBYKGMMLSA-N,C7H14,112.27,112.1974249,3.6,0,42,0,0,0,0,7,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHYLCYCLOHEXANOL",003809-32-3,97959,"2,5-dimethylcyclohexan-1-ol",CC1CCC(C(C1)O)C,"InChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3",RUADGOLRFXTMCY-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,20.2,90,0,1,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CIS-1,2-DIMETHYLCYCLOHEXANE",002207-01-4,16628,"cis-(1S,2R)-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@@H]1C,"InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+",KVZJLSYJROEPSQ-OCAPTIKFSA-N,C8H16,112.21,112.1252005,3.8,0,56,0,0,0,0,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1,4-DIMETHYLCYCLOHEXANE, MIXTURE OF CIS AND TRANS",000589-90-2,11523,"1,4-dimethylcyclohexane",CC1CCC(CC1)C,"InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3",QRMPKOFEUHIBNM-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.8,0,48,0,0,0,0,8,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIMETHYLCYCLOHEXANE, MIXTURE OF CIS AND TRANS",000591-21-9,11564,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,"InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3",SGVUHPSBDNVHKL-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.8,0,58,0,0,0,0,8,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexane, vinyl-",000695-12-5,12757,ethenylcyclohexane,C=CC1CCCCC1,"InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2",LDLDYFCCDKENPD-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.6,0,68,0,0,0,1,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,4-TRIMETHYLCYCLOHEXANE",007094-27-1,35365,"1,1,4-trimethylcyclohexane",CC1CCC(CC1)(C)C,"InChI=1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3",UIWORXHEVNIOJG-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.1,0,82,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRANS-1-METHYL-2-PROPYLCYCLOHEXANE,042806-77-9,252328,"cis-(1R,2R)-1-methyl-2-propylcyclohexane",CCC[C@@H]1CCCC[C@H]1C,"InChI=1S/C10H20/c1-3-6-10-8-5-4-7-9(10)2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1",BVYJEKBXVYKYRA-NXEZZACHSA-N,C10H20,140.27,140.1565006,4.8,0,86,0,0,0,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,2-TRIMETHYLCYCLOHEXANE",007094-26-0,35363,"1,1,2-trimethylcyclohexane",CC1CCCCC1(C)C,"InChI=1S/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3",MEBONNVPKOBPEA-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.1,0,92,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLCYCLOHEXANE,001678-91-7,15504,ethylcyclohexane,CCC1CCCCC1,"InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3",IIEWJVIFRVWJOD-UHFFFAOYSA-N,C8H16,112.21,112.1252005,4,0,51,0,0,0,1,8,"95 °F (USCG, 1999)","269 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1,2,4-TRIMETHYLCYCLOHEXANE",002234-75-5,91517,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,"InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3",VCJPCEVERINRSG-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4,0,86,0,0,0,0,9,,,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIMETHYLCYCLOHEXANE",001839-63-0,35364,"1,3,5-trimethylcyclohexane",CC1CC(CC(C1)C)C,"InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3",ODNRTOSCFYDTKF-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4,0,55,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOHEXANE,000108-87-2,7962,methylcyclohexane,CC1CCCCC1,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",UAEPNZWRGJTJPN-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.6,0,42,0,0,0,0,7,"25 °F (USCG, 1999)","213.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXYLAMINE,000108-91-8,7965,cyclohexanamine,C1CCC(CC1)N,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2",PAFZNILMFXTMIY-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.5,26,46,0,1,1,0,7,"88 °F (EPA, 1998)","274.1 °F at 760 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0
2-METHYLCYCLOHEXANOL,000583-59-5,11418,2-methylcyclohexan-1-ol,CC1CCCCC1O,"InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3",NDVWOBYBJYUSMF-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,20.2,70,0,1,1,0,8,"138 °F (USCG, 1999)","325.4 to 330.8 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
N-METHYLCYCLOHEXYLAMINE,000100-60-7,7514,N-methylcyclohexanamine,CNC1CCCCC1,"InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3",XTUVJUMINZSXGF-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.6,12,55,0,1,1,1,8,,,0,1,1,1,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,0
CYCLOHEXYL ISOCYANATE,003173-53-3,18502,isocyanatocyclohexane,C1CCC(CC1)N=C=O,"InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",KQWGXHWJMSMDJJ-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,2.8,29.4,121,0,0,2,1,9,"120 °F (NTP, 1992)","334 to 338 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"N,N-DIMETHYLCYCLOHEXANAMINE",000098-94-2,7415,"N,N-dimethylcyclohexanamine",CN(C)C1CCCCC1,"InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3",SVYKKECYCPFKGB-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,1.9,3.2,72,0,0,1,1,9,"108 °F (USCG, 1999)","323.6 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYLCYCLOHEXANE,000696-29-7,12763,propan-2-ylcyclohexane,CC(C)C1CCCCC1,"InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",GWESVXSMPKAFAS-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.3,0,68,0,0,0,1,9,"96 °F (USCG, 1999)","310 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANAMINE, N,N-DIETHYL-",000091-65-6,61571,"N,N-diethylcyclohexanamine",CCN(CC)C1CCCCC1,"InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",CIXSDMKDSYXUMJ-UHFFFAOYSA-N,C10H21N,155.28,155.1673997,2.8,3.2,91,0,0,1,3,11,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANE, 1-METHYL-4-(1-METHYLETHYL)-",000099-82-1,7459,1-methyl-4-propan-2-ylcyclohexane,CC1CCC(CC1)C(C)C,"InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3",CFJYNSNXFXLKNS-UHFFFAOYSA-N,C10H20,140.27,140.1565006,4.5,0,86,0,0,0,1,10,,170.9 °C AT 725 MM HG,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, N-ETHYL-",005459-93-8,21609,N-ethylcyclohexanamine,CCNC1CCCCC1,"InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3",AGVKXDPPPSLISR-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2,12,65,0,1,1,2,9,"85 °F ; 115 °F (cc) (USCG, 1999)","329 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, 4-METHYL-",006321-23-9,80604,4-methylcyclohexan-1-amine,CC1CCC(CC1)N,"InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3",KSMVBYPXNKCPAJ-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.5,26,62,0,1,1,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, 2-METHYL-",007003-32-9,23432,2-methylcyclohexan-1-amine,CC1CCCCC1N,"InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3",FEUISMYEFPANSS-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.6,26,70,0,1,1,0,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PEROXIDE, CYCLOHEXYLIDENEBIS[(1,1-DIMETHYLPROPYL)",015667-10-4,85044,"1,1-bis(2-methylbutan-2-ylperoxy)cyclohexane",CCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CC,"InChI=1S/C16H32O4/c1-7-14(3,4)17-19-16(12-10-9-11-13-16)20-18-15(5,6)8-2/h7-13H2,1-6H3",IMYCVFRTNVMHAD-UHFFFAOYSA-N,C16H32O4,288.42,288.2300595,4.8,36.9,258,0,0,4,8,20,,,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,0
"CYCLOHEXANAMINE, 3,3,5-TRIMETHYL-",015901-42-5,85931,"3,3,5-trimethylcyclohexan-1-amine",CC1CC(CC(C1)(C)C)N,"InChI=1S/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3",ZGMQLPDXPUINCQ-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.4,26,118,0,1,1,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, 1-ETHYNYL-",030389-18-5,121691,1-ethynylcyclohexan-1-amine,C#CC1(CCCCC1)N,"InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2",GDKOYYDQISQOMH-UHFFFAOYSA-N,C8H13N,123.2,123.1047994,1,26,134,0,1,1,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEMETHANAMINE, 5-AMINO-1,3,3-TRIMETHYL-, POLYMER WITH .ALPHA.-HYDRO-.",068649-08-1,76688,cyclohexylmethanamine,C1CCC(CC1)CN,"InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2",AVKNGPAMCBSNSO-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.7,26,55,0,1,1,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CYCLOHEXYL ACETATE,000622-45-7,12146,cyclohexyl acetate,CC(=O)OC1CCCCC1,"InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",YYLLIJHXUHJATK-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,1.9,26.3,114,0,0,2,2,10,"136 °F (USCG, 1999)","350 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXYL CHLORIDE,000542-18-7,10952,chlorocyclohexane,C1CCC(CC1)Cl,"InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2",UNFUYWDGSFDHCW-UHFFFAOYSA-N,C6H11Cl,118.6,118.054928,3,0,46,0,0,0,0,7,90 °F,142 °C,0,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
BUTYLCYCLOHEXANE,001678-93-9,15506,butylcyclohexane,CCCCC1CCCCC1,"InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",GGBJHURWWWLEQH-UHFFFAOYSA-N,C10H20,140.27,140.1565006,5.1,0,70,0,0,0,3,10,,180.90 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYLCYCLOHEXANOL",005337-72-4,21428,"2,6-dimethylcyclohexan-1-ol",CC1CCCC(C1O)C,"InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3",MOISVRZIQDQVPF-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.1,20.2,80,0,1,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL CYCLOHEXANECARBOXYLATE,004630-82-4,20748,methyl cyclohexanecarboxylate,COC(=O)C1CCCCC1,"InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3",ZQWPRMPSCMSAJU-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.2,26.3,114,0,0,2,2,10,,183.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,5,6-DECAFLUORO-5,6-BIS(TRIFLUOROMETHYL)CYCLOHEXANE",000306-98-9,101640,"1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)cyclohexane",C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F,"InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12",GHBZJUJZNRLHBI-UHFFFAOYSA-N,C8F16,400.06,399.9744506,5.4,0,475,0,0,16,0,24,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANETHIOL,001569-69-3,15290,cyclohexanethiol,C1CCC(CC1)S,"InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",CMKBCTPCXZNQKX-UHFFFAOYSA-N,C6H12S,116.23,116.0659716,2.7,1,46,0,1,1,0,7,"110 °F (NIOSH, 2024)","316 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, CYCLOHEXYL ESTER",004351-54-6,20358,cyclohexyl formate,C1CCC(CC1)OC=O,"InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2",VUXKVKAHWOVIDN-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,84,0,0,2,2,9,,162.00 to 163.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-METHYL-, CYCLOHEXYL ESTER",007774-44-9,287439,cyclohexyl 3-methylbutanoate,CC(C)CC(=O)OC1CCCCC1,"InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",SQPOKBBCNZIWFI-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.2,26.3,157,0,0,2,4,13,,223.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANECARBOXYLIC ACID, 4-METHYL-, METHYL ESTER",051181-40-9,170993,methyl 4-methylcyclohexane-1-carboxylate,CC1CCC(CC1)C(=O)OC,"InChI=1S/C9H16O2/c1-7-3-5-8(6-4-7)9(10)11-2/h7-8H,3-6H2,1-2H3",QJMSVBUMBNELCF-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.4,26.3,134,0,0,2,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-HYDRO-.OMEGA.-HYDROXY-, PHOSPHATE",052503-24-9,12536912,"(1S,2S,4R)-1,2,4-trimethylcyclohexane",C[C@@H]1CC[C@@H]([C@H](C1)C)C,"InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1",VCJPCEVERINRSG-VGMNWLOBSA-N,C9H18,126.24,126.1408506,4,0,86,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANE, 3-ETHOXY-1,1,5-TRIMETHYL-",067583-77-1,106714,"3-ethoxy-1,1,5-trimethylcyclohexane",CCOC1CC(CC(C1)(C)C)C,"InChI=1S/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3",JVBNHJDWWBSWLE-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.5,9.2,140,0,0,1,2,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOBUTYLCYCLOHEXANE,001678-98-4,15508,2-methylpropylcyclohexane,CC(C)CC1CCCCC1,"InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",FFROMNOQCNVNIH-UHFFFAOYSA-N,C10H20,140.27,140.1565006,4.8,0,78,0,0,0,2,10,,,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPANONE, 1-CYCLOHEXYL-",000103-78-6,66899,1-cyclohexylpropan-2-one,CC(=O)CC1CCCCC1,"InChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3",UHBZEAPZATVYKV-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.6,17.1,112,0,0,1,2,10,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXYL BROMIDE,000108-85-0,7960,bromocyclohexane,C1CCC(CC1)Br,"InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2",AQNQQHJNRPDOQV-UHFFFAOYSA-N,C6H11Br,163.06,162.00441,3.2,0,46,0,0,0,0,7,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYLCYCLOHEXANOL",005441-52-1,21584,"3,5-dimethylcyclohexan-1-ol",CC1CC(CC(C1)O)C,"InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3",WIYNOPYNRFPWNB-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,20.2,80,0,1,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHYLCYCLOHEXANOL",005715-23-1,97960,"3,4-dimethylcyclohexan-1-ol",CC1CCC(CC1C)O,"InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3",ZBAXJUPCYVIBSP-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2,20.2,90,0,1,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 3,3-DIMETHYL-",000767-12-4,79105,"3,3-dimethylcyclohexan-1-ol",CC1(CCCC(C1)O)C,"InChI=1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3",DQBDGNSFXSCBJX-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,20.2,96,0,1,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, 1-BROMO-4-METHYL-",006294-40-2,22727,1-bromo-4-methylcyclohexane,CC1CCC(CC1)Br,"InChI=1S/C7H13Br/c1-6-2-4-7(8)5-3-6/h6-7H,2-5H2,1H3",RLOHLPHAOHGRNM-UHFFFAOYSA-N,C7H13Br,177.08,176.02006,3.2,0,62,0,0,0,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, 1-BROMO-3-METHYL-",013905-48-1,95431,1-bromo-3-methylcyclohexane,CC1CCCC(C1)Br,"InChI=1S/C7H13Br/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3",CAKVGNXMAZLDPV-UHFFFAOYSA-N,C7H13Br,177.08,176.02006,3.2,0,70,0,0,0,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYLCYCLOHEXANOL,000590-67-0,11550,1-methylcyclohexan-1-ol,CC1(CCCCC1)O,"InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3",VTBOTOBFGSVRMA-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.3,20.2,72,0,1,1,0,8,67 °C,155 °C,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, COMPD. WITH CYCLOHEXANAMINE (1:1)",007346-79-4,165593,acetic acid;cyclohexanamine,CC(=O)O.C1CCC(CC1)N,"InChI=1S/C6H13N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6H,1-5,7H2;1H3,(H,3,4)",XDMMMGGRRNTWML-UHFFFAOYSA-N,C8H17NO2,159.23,159.1259288,,63.3,77,0,2,3,0,11,,,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
1-(2-CHLOROETHYL)-3-CYCLOHEXYL-1-NITROSOUREA (CCNU),013010-47-4,3950,1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea,C1CCC(CC1)NC(=O)N(CCCl)N=O,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",GQYIWUVLTXOXAJ-UHFFFAOYSA-N,C9H16ClN3O2,233.69,233.0931045,2.8,61.8,219,0,1,3,3,15,,,0,0,0,1,0,1,0,0,0,1,1,0,1,1,0,1,0,0,1,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, [1S-(1.ALPHA.,2.ALPHA.,5.B",002552-91-2,75699,"[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate",C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C)C(C)C,"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1",XHXUANMFYXWVNG-USWWRNFRSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,198,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,1-BIS(TERT-BUTYLPEROXY)-3,3,5-TRIMETHYLCYCLOHEXANE",006731-36-8,93038,"1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane",CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,"InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3",NALFRYPTRXKZPN-UHFFFAOYSA-N,C17H34O4,302.4,302.2457096,5,36.9,318,0,0,4,6,21,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"CYCLOHEXANE, 1-METHYL-4-(1-METHYLETHYL)-, MONOHYDROPEROXY DERIV.",026762-92-5,117329,2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane,CC1CCC(C(C1)OO)C(C)C,"InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3",OZTWDFWAMMUDHQ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.1,29.5,134,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,1,0
"PEROXIDE, CYCLOHEXYLIDENEBIS[(1,1-DIMETHYLETHYL)",003006-86-8,76359,"1,1-bis(tert-butylperoxy)cyclohexane",CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C,"InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3",HSLFISVKRDQEBY-UHFFFAOYSA-N,C14H28O4,260.37,260.1987594,3.7,36.9,224,0,0,4,6,18,,,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,1
CYCLOHEXANONE CYANOHYDRIN,000931-97-5,13610,1-hydroxycyclohexane-1-carbonitrile,C1CCC(CC1)(C#N)O,"InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2",ZDBRPNZOTCHLSP-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,0.9,44,138,0,1,2,0,9,,"228 to 235 °F at 9 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, CYCLOHEXYL ESTER",013248-54-9,83262,cyclohexyl carbonochloridate,C1CCC(CC1)OC(=O)Cl,"InChI=1S/C7H11ClO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2",IWVJLGPDBXCTDA-UHFFFAOYSA-N,C7H11ClO2,162.61,162.0447573,3,26.3,119,0,0,2,2,10,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
1-(2-CHLOROETHYL)-3-(4-METHYLCYCLOHEXYL)-1-NITROSOUREA,013909-09-6,5198,1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea,CC1CCC(CC1)NC(=O)N(CCCl)N=O,"InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)",FVLVBPDQNARYJU-UHFFFAOYSA-N,C10H18ClN3O2,247.72,247.1087545,3.3,61.8,242,0,1,3,3,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
LINDANE,000058-89-9,727,"1,2,3,4,5,6-hexachlorocyclohexane",C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,C6H6Cl6,290.8,289.857116,3.8,0,104,0,0,0,0,12,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"1,8-DIAMINO-P-MENTHANE",000080-52-4,6650,4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine,CC1(CCC(CC1)C(C)(C)N)N,"InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3",KOGSPLLRMRSADR-UHFFFAOYSA-N,C10H22N2,170.3,170.1782987,0.7,52,155,0,2,2,1,12,"200 °F (NTP, 1992)","225 to 259 °F at 10 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITROCYCLOHEXANE,001122-60-7,14285,nitrocyclohexane,C1CCC(CC1)[N+](=O)[O-],"InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2",NJNQUTDUIPVROZ-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,1.8,45.8,102,0,0,2,0,9,,"401.9 °F at 768 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(1-HYDROXYCYCLOHEXYL)-",001123-27-9,70745,1-(1-hydroxycyclohexyl)ethanone,CC(=O)C1(CCCCC1)O,"InChI=1S/C8H14O2/c1-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3",JKAKPUWJSRMKFH-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,0.9,37.3,134,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.-PROPYL-",004352-42-5,107269,1-cyclohexylbutan-1-ol,CCCC(C1CCCCC1)O,"InChI=1S/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3",MTUCYAOJXPTLHZ-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.2,20.2,95,0,1,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, COMPD. WITH N,N-DIMETHYLCYCLOHEXANAMINE (1:1)",068459-80-3,110329,"N,N-dimethylcyclohexanamine;formic acid",CN(C)C1CCCCC1.C(=O)O,"InChI=1S/C8H17N.CH2O2/c1-9(2)8-6-4-3-5-7-8;2-1-3/h8H,3-7H2,1-2H3;1H,(H,2,3)",DAMFDFKOXMYOTN-UHFFFAOYSA-N,C9H19NO2,173.25,173.1415788,,40.5,82,0,1,3,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANECARBONITRILE,000766-05-2,69834,cyclohexanecarbonitrile,C1CCC(CC1)C#N,"InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2",VBWIZSYFQSOUFQ-UHFFFAOYSA-N,C7H11N,109.17,109.0891494,2.1,23.8,103,0,0,1,0,8,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIAMINE, N-CYCLOHEXYL-",003312-60-5,18718,"N'-cyclohexylpropane-1,3-diamine",C1CCC(CC1)NCCCN,"InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2",ITZPOSYADVYECJ-UHFFFAOYSA-N,C9H20N2,156.27,156.1626486,1.6,38.1,87,0,2,2,4,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"TRANS-1,4-CYCLOHEXYLENE DIISOCYANATE",007517-76-2,17367,"1,4-diisocyanatocyclohexane",C1CC(CCC1N=C=O)N=C=O,"InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2",CDMDQYCEEKCBGR-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,3,58.9,205,0,0,4,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
PHYTIC ACID DODECASODIUM,014306-25-3,66391,"dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate",C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C6H18O24P6.12Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;;;;/q;12*+1/p-12",KETSPIPODMGOEJ-UHFFFAOYSA-B,C6H6Na12O24P6,923.82,923.6447044,,435,749,0,0,24,6,48,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-ETHYNYLCYCLOHEXANOL,000078-27-3,6525,1-ethynylcyclohexan-1-ol,C#CC1(CCCCC1)O,"InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2",QYLFHLNFIHBCPR-UHFFFAOYSA-N,C8H12O,124.18,124.088815,1.7,20.2,134,0,1,1,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRANS-1,4-CYCLOHEXANEDIAMINE",002615-25-0,18374,"cyclohexane-1,4-diamine",C1CC(CCC1N)N,"InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2",VKIRRGRTJUUZHS-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.3,52,54,0,2,2,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRANS-N,N'-DIMETHYLCYCLOHEXANE-1,2-DIAMINE",061798-24-1,551074,"1-N,2-N-dimethylcyclohexane-1,2-diamine",CNC1CCCCC1NC,"InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3",JRHPOFJADXHYBR-UHFFFAOYSA-N,C8H18N2,142.24,142.1469986,0.7,24.1,81,0,2,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TRANS-N1,N2-DIMETHYLCYCLOHEXANE-1,2-DIAMINE",067579-81-1,2733821,"trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine",CN[C@@H]1CCCC[C@H]1NC,"InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1",JRHPOFJADXHYBR-HTQZYQBOSA-N,C8H18N2,142.24,142.1469986,0.7,24.1,81,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(1S,2S)- N,N'-DIMETHYL-1,2-CYCLOHEXANEDIAMINE",087583-89-9,13822957,"trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine",CN[C@H]1CCCC[C@@H]1NC,"InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1",JRHPOFJADXHYBR-YUMQZZPRSA-N,C8H18N2,142.24,142.1469986,0.7,24.1,81,0,2,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANE, 1,4-BIS(CHLOROMETHYL)-",000824-93-1,69992,"1,4-bis(chloromethyl)cyclohexane",C1CC(CCC1CCl)CCl,"InChI=1S/C8H14Cl2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2",VUBDYLKZHRQEBS-UHFFFAOYSA-N,C8H14Cl2,181.1,180.0472558,3.1,0,73,0,0,0,2,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, ISOTHIOCYANATO-",001122-82-3,14289,isothiocyanatocyclohexane,C1CCC(CC1)N=C=S,"InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",MZSJGCPBOVTKHR-UHFFFAOYSA-N,C7H11NS,141.24,141.0612205,3.4,44.5,121,0,0,2,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"1,2-CYCLOHEXANEDICARBOXYLIC ACID",001687-30-5,15522,"cyclohexane-1,2-dicarboxylic acid",C1CCC(C(C1)C(=O)O)C(=O)O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",QSAWQNUELGIYBC-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,0.9,74.6,177,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,4-CYCLOHEXANEDIMETHANAMINE",002549-93-1,17354,[4-(aminomethyl)cyclohexyl]methanamine,C1CC(CCC1CN)CN,"InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2",OXIKYYJDTWKERT-UHFFFAOYSA-N,C8H18N2,142.24,142.1469986,0.1,52,73,0,2,2,2,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOHEXANECARBONYL CHLORIDE,002719-27-9,75938,cyclohexanecarbonyl chloride,C1CCC(CC1)C(=O)Cl,"InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2",RVOJTCZRIKWHDX-UHFFFAOYSA-N,C7H11ClO,146.61,146.0498427,2.9,17.1,105,0,0,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2-(cyclohexylamino)-",002842-38-8,17827,2-(cyclohexylamino)ethanol,C1CCC(CC1)NCCO,"InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2",MGUMZJAQENFQKN-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,0.9,32.3,79,0,2,2,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-CYCLOHEXANEDIAMINE",003385-21-5,18814,"cyclohexane-1,3-diamine",C1CC(CC(C1)N)N,"InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2",GEQHKFFSPGPGLN-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.3,52,64,0,2,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, HYDROCHLORIDE",004998-76-9,2723770,cyclohexanamine;hydrochloride,C1CCC(CC1)N.Cl,"InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H",ZJUGSKJHHWASAF-UHFFFAOYSA-N,C6H14ClN,135.63,135.0814771,,26,46,0,2,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"CYCLOHEXANECARBONITRILE, 1-AMINO-",005496-10-6,79635,1-aminocyclohexane-1-carbonitrile,C1CCC(CC1)(C#N)N,"InChI=1S/C7H12N2/c8-6-7(9)4-2-1-3-5-7/h1-5,9H2",HUMMCZRNZCKXHL-UHFFFAOYSA-N,C7H12N2,124.18,124.1000484,0.7,49.8,136,0,1,2,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(METHYLISOCYANATE) CYCLOHEXANE",010347-54-3,61504,"1,4-bis(isocyanatomethyl)cyclohexane",C1CC(CCC1CN=C=O)CN=C=O,"InChI=1S/C10H14N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h9-10H,1-6H2",ROHUXHMNZLHBSF-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,3.5,58.9,229,0,0,4,4,14,,,0,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"SILANE, TRICHLORO(CYCLOHEXYLMETHYL)-",018388-16-4,87618,trichloro(cyclohexylmethyl)silane,C1CCC(CC1)C[Si](Cl)(Cl)Cl,"InChI=1S/C7H13Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2",NAHQHOCDGCGAJH-UHFFFAOYSA-N,C7H13Cl3Si,231.6,229.98521,,0,115,0,0,0,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BIS(METHYLISOCYANATE) CYCLOHEXANE",038661-72-2,53172,"1,3-bis(isocyanatomethyl)cyclohexane",C1CC(CC(C1)CN=C=O)CN=C=O,"InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2",XSCLFFBWRKTMTE-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,3.7,58.9,239,0,0,4,4,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"CYCLOHEXANE, BIS(ISOCYANATOMETHYL)-",042170-25-2,170614,"1,1-bis(isocyanatomethyl)cyclohexane",C1CCC(CC1)(CN=C=O)CN=C=O,InChI=1S/C10H14N2O2/c13-8-11-6-10(7-12-9-14)4-2-1-3-5-10/h1-7H2,QXRRAZIZHCWBQY-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,4,58.9,248,0,0,4,4,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,2-CYCLOHEXANEDICARBOXYLIC ACID, 4-METHYL-",057567-84-7,93719,"4-methylcyclohexane-1,2-dicarboxylic acid",CC1CCC(C(C1)C(=O)O)C(=O)O,"InChI=1S/C9H14O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)",YWVFNWVZBAWOOY-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,1.1,74.6,224,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
SODIUM CYCLOHEXANEBUTYRATE,061886-29-1,4072353,sodium 4-cyclohexylbutanoate,C1CCC(CC1)CCCC(=O)[O-].[Na+],"InChI=1S/C10H18O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",GBEFSJZAXXWKIO-UHFFFAOYSA-M,C10H17NaO2,192.23,192.1126241,,40.1,142,0,0,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-CYCLOHEXANEDIOL",000556-48-9,11162,"cyclohexane-1,4-diol",C1CC(CCC1O)O,"InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2",VKONPUDBRVKQLM-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,40.5,54,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
S-ETHYL N-CYCLOHEXYL-N-ETHYL(THIOCARBAMATE),001134-23-2,14337,S-ethyl N-cyclohexyl-N-ethylcarbamothioate,CCN(C1CCCCC1)C(=O)SCC,"InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",DFCAFRGABIXSDS-UHFFFAOYSA-N,C11H21NOS,215.36,215.1343855,4.1,45.6,178,0,0,2,4,14,139 °C (TAG OPEN CUP),145 °C at 10 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYCLOHEXYLETHANOL,004442-79-9,20508,2-cyclohexylethanol,C1CCC(CC1)CCO,"InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2",QJQZRLXDLORINA-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.6,20.2,65,0,1,1,2,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANOL-D12,066522-78-9,2723969,"1,1,2,2,3,3,4,4,5,5,6-undecadeuterio-6-deuteriooxycyclohexane",[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])O[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D,7D",HPXRVTGHNJAIIH-BFHGLDALSA-N,C6H12O,112.23,112.164136,1.2,20.2,46,0,1,1,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
PENTYLCYCLOHEXANE,004292-92-6,20284,pentylcyclohexane,CCCCCC1CCCCC1,"InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3",HLTMUYBTNSVOFY-UHFFFAOYSA-N,C11H22,154.29,154.1721507,5.7,0,80,0,0,0,4,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHINAMATE,000126-52-3,3284,(1-ethynylcyclohexyl) carbamate,C#CC1(CCCCC1)OC(=O)N,"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",GXRZIMHKGDIBEW-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.3,52.3,220,0,1,2,3,12,,118-122 °C @ 3 MM OF HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanesulfamic acid, monosodium salt",000139-05-9,23665706,sodium N-cyclohexylsulfamate,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],"InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1",UDIPTWFVPPPURJ-UHFFFAOYSA-M,C6H12NNaO3S,201.22,201.0435587,,77.6,205,0,1,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, ETHOXY-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, (1.ALPHA.,2.",000579-94-2,68932,"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-ethoxyacetate",CCOCC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C,"InChI=1S/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3/t11-,12+,13-/m1/s1",DXGZIMYAPNIRHS-FRRDWIJNSA-N,C14H26O3,242.35,242.1881947,3.8,35.5,238,0,0,3,6,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANEPROPANOIC ACID,000701-97-3,69702,3-cyclohexylpropanoic acid,C1CCC(CC1)CCC(=O)O,"InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)",HJZLEGIHUQOJBA-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.8,37.3,126,0,1,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, 1,2,3,4,5,6-HEXABROMO-",001837-91-8,74603,"1,2,3,4,5,6-hexabromocyclohexane",C1(C(C(C(C(C1Br)Br)Br)Br)Br)Br,InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,QFQZKISCBJKVHI-UHFFFAOYSA-N,C6H6Br6,557.5,557.55083,5,0,104,0,0,0,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANE, HEXYL-",004292-75-5,20283,hexylcyclohexane,CCCCCCC1CCCCC1,"InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3",QHWAQXOSHHKCFK-UHFFFAOYSA-N,C12H24,168.32,168.1878008,6.2,0,90,0,0,0,5,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEETHANETHIOL, 3-MERCAPTO-.BETA.,4-DIMETHYL-",004802-20-4,20936,2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol,CC1CCC(CC1S)C(C)CS,"InChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3",SUNXFMPZAFGPFW-UHFFFAOYSA-N,C10H20S2,204.4,204.100643,3.7,2,136,0,2,2,2,12,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, 1,2-DIBROMO-",005401-62-7,95314,"1,2-dibromocyclohexane",C1CCC(C(C1)Br)Br,"InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2",CZNHKZKWKJNOTE-UHFFFAOYSA-N,C6H10Br2,241.95,241.91288,3.1,0,62,0,0,0,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, HEPTYL-",005617-41-4,21832,heptylcyclohexane,CCCCCCCC1CCCCC1,"InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3",MSTLSCNJAHAQNU-UHFFFAOYSA-N,C13H26,182.35,182.2034508,6.8,0,101,0,0,0,6,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 1-ETHYNYL-2-(1-METHYLPROPYL)-, ACETATE",037172-05-7,161936,(2-butan-2-yl-1-ethynylcyclohexyl) acetate,CCC(C)C1CCCCC1(C#C)OC(=O)C,"InChI=1S/C14H22O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h2,11,13H,5,7-10H2,1,3-4H3",PKVIIPGIGKYQFI-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,3.6,26.3,299,0,0,2,5,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DECAFLUORO(PENTAFLUOROETHYL)CYCLOHEXANESULFONIC ACID, POTASSIUM SALT",067584-42-3,23673606,"potassium 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonate",C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)S(=O)(=O)[O-].[K+],"InChI=1S/C8HF15O3S.K/c9-2(10)1(27(24,25)26,4(13,14)8(21,22)23)3(11,12)6(17,18)7(19,20)5(2,15)16;/h(H,24,25,26);/q;+1/p-1",XOSCHQYLTKHYJE-UHFFFAOYSA-M,C8F15KO3S,500.22,499.8965689,,65.6,703,0,0,18,2,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (CYCLOHEXYLOXY)-, 2-PROPENYL ESTER",068901-15-5,111727,prop-2-enyl 2-cyclohexyloxyacetate,C=CCOC(=O)COC1CCCCC1,"InChI=1S/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2",MBUYSYKXSMTIPP-UHFFFAOYSA-N,C11H18O3,198.26,198.1255944,2.5,35.5,183,0,0,3,6,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-CYCLOHEXANEDIOL",000504-01-8,10433,"cyclohexane-1,3-diol",C1CC(CC(C1)O)O,"InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2",RLMGYIOTPQVQJR-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,40.5,64,0,2,2,0,8,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEXANEDIAMINE",000694-83-7,4610,"cyclohexane-1,2-diamine",C1CCC(C(C1)N)N,"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2",SSJXIUAHEKJCMH-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.3,52,62,0,2,2,0,8,Flash point > 93 °C,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,3-CYCLOHEXANEDIMETHANAMINE",002579-20-6,17406,[3-(aminomethyl)cyclohexyl]methanamine,C1CC(CC(C1)CN)CN,"InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2",QLBRROYTTDFLDX-UHFFFAOYSA-N,C8H18N2,142.24,142.1469986,0.2,52,83,0,2,2,2,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANECARBOXYLIC ACID, 5-METHYL-2-(1-METHYLETHYL)-, [1R-(1.ALPHA.,2.BETA.",016052-40-7,85256,"(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid",C[C@@H]1CC[C@H]([C@@H](C1)C(=O)O)C(C)C,"InChI=1S/C11H20O2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m1/s1",MNVSUVYRIVXDBK-KXUCPTDWSA-N,C11H20O2,184.27,184.1463299,3.4,37.3,187,0,1,2,2,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, [1R-(1.ALPHA.,2.BETA.,5.ALPHA.)]-",000089-79-2,170833,"(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol",C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1",ZYTMANIQRDEHIO-KXUCPTDWSA-N,C10H18O,154.25,154.1357652,3,20.2,151,0,1,1,1,11,,216.00 to 218.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-METHYLCYCLOHEXANOL,000589-91-3,11524,4-methylcyclohexan-1-ol,CC1CCC(CC1)O,"InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",MQWCXKGKQLNYQG-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,20.2,62,0,1,1,0,8,70 °C c.c.,173 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANEPROPANOIC ACID, 2-PROPENYL ESTER",002705-87-5,17617,prop-2-enyl 3-cyclohexylpropanoate,C=CCOC(=O)CCC1CCCCC1,"InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2",TWXUTZNBHUWMKJ-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.8,26.3,181,0,0,2,6,14,,91.00 °C. @ 1.00 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANEACETIC ACID, 2-PROPENYL ESTER",004728-82-9,22034852,prop-2-enyl 2-cyclohexylacetate,C=CCOC(=O)CC1CCCCC1,"InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2",UECFOOSFSUDPOR-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,3.4,26.3,169,0,0,2,5,13,,60.00 to 63.00 °C. @ 1.00 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE",002855-13-2,17857,"3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine",CC1(CC(CC(C1)(C)CN)N)C,"InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3",RNLHGQLZWXBQNY-UHFFFAOYSA-N,C10H22N2,170.3,170.1782987,1.1,52,165,0,2,2,1,12,"230 °F (USCG, 1999)","477 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-CYCLOHEXANEDICARBOXYLIC ACID",001076-97-7,14106,"cyclohexane-1,4-dicarboxylic acid",C1CC(CCC1C(=O)O)C(=O)O,"InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",PXGZQGDTEZPERC-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,0.5,74.6,169,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANOL,000108-93-0,7966,cyclohexanol,C1CCC(CC1)O,"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",HPXRVTGHNJAIIH-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.2,20.2,46,0,1,1,0,7,"154 °F (NTP, 1992)","322 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-",007786-67-6,24585,5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol,CC1CCC(C(C1)O)C(=C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",ZYTMANIQRDEHIO-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3,20.2,151,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANE, TETRADECYL-",001795-18-2,15715,tetradecylcyclohexane,CCCCCCCCCCCCCCC1CCCCC1,"InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3",NQAVPKIJZCHUNS-UHFFFAOYSA-N,C20H40,280.5,280.3130013,10.5,0,178,0,0,0,13,20,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANE, NONYL-",002883-02-5,17900,nonylcyclohexane,CCCCCCCCCC1CCCCC1,"InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3",CLMFECCMAVQYQA-UHFFFAOYSA-N,C15H30,210.4,210.234751,7.8,0,122,0,0,0,8,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANE, TRIDECYL-",006006-33-3,22327,tridecylcyclohexane,CCCCCCCCCCCCCC1CCCCC1,"InChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3",DKRUJKKWJGNYQN-UHFFFAOYSA-N,C19H38,266.5,266.2973512,10,0,167,0,0,0,12,19,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.-METHYL-",001193-81-3,137829,1-cyclohexylethanol,CC(C1CCCCC1)O,"InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3",JMSUNAQVHOHLMX-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.3,20.2,74,0,1,1,1,9,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(-)-1,2-DIAMINOCYCLOHEXANE",020439-47-8,43806,"trans-(1R,2R)-cyclohexane-1,2-diamine",C1CC[C@H]([C@@H](C1)N)N,"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1",SSJXIUAHEKJCMH-PHDIDXHHSA-N,C6H14N2,114.19,114.1156985,-0.3,52,62,0,2,2,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"CIS-1,2-CYCLOHEXANEDIAMINE",001436-59-5,342917,"cis-(1S,2R)-cyclohexane-1,2-diamine",C1CC[C@@H]([C@@H](C1)N)N,"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+",SSJXIUAHEKJCMH-OLQVQODUSA-N,C6H14N2,114.19,114.1156985,-0.3,52,62,0,2,2,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"(1S,2S)-(+)-1,2-DIAMINOCYCLOHEXANE",021436-03-3,479307,"trans-(1S,2S)-cyclohexane-1,2-diamine",C1CC[C@@H]([C@H](C1)N)N,"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1",SSJXIUAHEKJCMH-WDSKDSINSA-N,C6H14N2,114.19,114.1156985,-0.3,52,62,0,2,2,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,3,3-TRIMETHYL-N-(2-METHYLPROPYLIDENE)-5-((2-METHYLPROPYLIDENE)AMINO)CYCLOHEXANEMETHYLAMINE",054914-37-3,108265,"2-methyl-N-[[1,3,3-trimethyl-5-(2-methylpropylideneamino)cyclohexyl]methyl]propan-1-imine",CC(C)C=NCC1(CC(CC(C1)(C)C)N=CC(C)C)C,"InChI=1S/C18H34N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h10-11,14-16H,8-9,12-13H2,1-7H3",JAQIHZHFSKQFEI-UHFFFAOYSA-N,C18H34N2,278.5,278.2721991,4.3,24.7,352,0,0,2,5,20,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"SILANE, TRICHLOROCYCLOHEXYL-",000098-12-4,60987,trichloro(cyclohexyl)silane,C1CCC(CC1)[Si](Cl)(Cl)Cl,"InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2",SIPHWXREAZVVNS-UHFFFAOYSA-N,C6H11Cl3Si,217.6,215.96956,,0,104,0,0,0,0,10,"196 °F (NFPA, 2010)",206 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROCYCLOHEXYLMETHYL-",005578-42-7,79685,dichloro-cyclohexyl-methylsilane,C[Si](C1CCCCC1)(Cl)Cl,"InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3",YUYHCACQLHNZLS-UHFFFAOYSA-N,C7H14Cl2Si,197.17,196.0241824,,0,108,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, SODIUM SALT, (1.ALPHA.,2.BETA.,5.AL",019321-38-1,23700401,"sodium (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-olate",C[C@@H]1CC[C@H]([C@@H](C1)[O-])C(C)C.[Na+],"InChI=1S/C10H19O.Na/c1-7(2)9-5-4-8(3)6-10(9)11;/h7-10H,4-6H2,1-3H3;/q-1;+1/t8-,9+,10-;/m1./s1",HTMDLQGFGSQOLM-YMQJAAJZSA-N,C10H19NaO,178.25,178.1333595,,23.1,125,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, 4-(1,1-DIMETHYLETHYL)CYCLOHEXYL ESTER",042125-46-2,170608,(4-tert-butylcyclohexyl) carbonochloridate,CC(C)(C)C1CCC(CC1)OC(=O)Cl,"InChI=1S/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3",YXFSGPPQRCUVRL-UHFFFAOYSA-N,C11H19ClO2,218.72,218.1073575,4.4,26.3,200,0,0,2,3,14,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
GABAPENTIN HYDROCHLORIDE,060142-95-2,6453919,2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride,C1CCC(CC1)(CC(=O)O)CN.Cl,"InChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H",XBUDZAQEMFGLEU-UHFFFAOYSA-N,C9H18ClNO2,207.7,207.1026065,,63.3,162,0,3,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOHEXANECARBOXYLIC ACID,000098-89-5,7413,cyclohexanecarboxylic acid,C1CCC(CC1)C(=O)O,"InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)",NZNMSOFKMUBTKW-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.9,37.3,103,0,1,2,1,9,,232.00 to 233.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-CYCLOHEXANETETRACARBOXYLIC ACID",015383-49-0,2834946,"cyclohexane-1,2,4,5-tetracarboxylic acid",C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",ZPAKUZKMGJJMAA-UHFFFAOYSA-N,C10H12O8,260.2,260.0532173,-1.2,149,327,0,4,8,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID,003685-26-5,151138,4-hydroxycyclohexane-1-carboxylic acid,C1CC(CCC1C(=O)O)O,"InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)",HCFRWBBJISAZNK-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.3,57.5,125,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANECARBOXYLIC ACID, 1-AMINO-",002756-85-6,1366,1-aminocyclohexane-1-carboxylic acid,C1CCC(CC1)(C(=O)O)N,"InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)",WOXWUZCRWJWTRT-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,-1.9,63.3,139,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANE, 2-HEPTYL-3,4-BIS (9-ISOCYANATONONYL)-1-PENTYL-",068239-06-5,109248,"3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane",CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)CCCCC,"InChI=1S/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3",AMUBKBXGFDIMDJ-UHFFFAOYSA-N,C38H70N2O2,587,586.5437295,18.1,58.9,683,0,0,4,30,42,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
GABAPENTIN,060142-96-3,3446,2-[1-(aminomethyl)cyclohexyl]acetic acid,C1CCC(CC1)(CC(=O)O)CN,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE-UHFFFAOYSA-N,C9H17NO2,171.24,171.1259288,-1.1,63.3,162,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
CYCLOHEXANEBUTYRIC ACID,004441-63-8,75200,4-cyclohexylbutanoic acid,C1CCC(CC1)CCCC(=O)O,"InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)",UVZMNGNFERVGRC-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.4,37.3,137,0,1,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CYCLOHEXYLAMINO-1-PROPANESULFONIC ACID,001135-40-6,70815,3-(cyclohexylamino)propane-1-sulfonic acid,C1CCC(CC1)NCCCS(=O)(=O)O,"InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)",PJWWRFATQTVXHA-UHFFFAOYSA-N,C9H19NO3S,221.32,221.1085646,-1.4,74.8,239,0,2,4,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,2-DIAMINOCYCLOHEXANE-N,N,N',N'-TETRAACETIC ACID",013291-61-7,2723845,"2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid",C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1",FCKYPQBAHLOOJQ-NXEZZACHSA-N,C14H22N2O8,346.33,346.1376157,-4.5,156,419,0,4,10,10,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INOSITOL,000087-89-8,892,"cyclohexane-1,2,3,4,5,6-hexol",C1(C(C(C(C(C1O)O)O)O)O)O,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,CDAISMWEOUEBRE-UHFFFAOYSA-N,C6H12O6,180.16,180.0633881,-3.7,121,104,0,6,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERFLUORO-1,3-DIMETHYLCYCLOHEXANE",000335-27-3,78975,"1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane",C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F,"InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14",LOQGSOTUHASIHI-UHFFFAOYSA-N,C8F16,400.06,399.9744506,5.4,0,479,0,0,16,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODOCYCLOHEXANE,000626-62-0,12289,iodocyclohexane,C1CCC(CC1)I,"InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2",FUCOMWZKWIEKRK-UHFFFAOYSA-N,C6H11I,210.06,209.99055,3.8,0,46,0,0,0,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXYLACETIC ACID,005292-21-7,21363,2-cyclohexylacetic acid,C1CCC(CC1)CC(=O)O,"InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)",LJOODBDWMQKMFB-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.5,37.3,114,0,1,2,2,10,,242.00 to 243.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,2-CYCLOHEXANEDIOL",001460-57-7,92886,"trans-(1R,2R)-cyclohexane-1,2-diol",C1CC[C@H]([C@@H](C1)O)O,"InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1",PFURGBBHAOXLIO-PHDIDXHHSA-N,C6H12O2,116.16,116.0837296,0.2,40.5,62,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3,5-TRIMETHYLCYCLOHEXANOL",000116-02-9,8298,"3,3,5-trimethylcyclohexan-1-ol",CC1CC(CC(C1)(C)C)O,"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",BRRVXFOKWJKTGG-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.6,20.2,118,0,1,1,0,10,73.9 °C,198 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-MENTHOL,015356-70-4,1254,5-methyl-2-propan-2-ylcyclohexan-1-ol,CC1CCC(C(C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",NOOLISFMXDJSKH-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,"196 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(CYCLOHEXYLOXY)ETHANOL,001817-88-5,224775,2-cyclohexyloxyethanol,C1CCC(CC1)OCCO,"InChI=1S/C8H16O2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2",RFHPMEOKJKCEFR-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.2,29.5,77,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECAFLUOROCYCLOHEXANE,000355-68-0,9640,"1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorocyclohexane",C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12",RKIMETXDACNTIE-UHFFFAOYSA-N,C6F12,300.04,299.9808379,2.9,0,248,0,0,12,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID",002305-32-0,720895,"trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid",C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1",QSAWQNUELGIYBC-PHDIDXHHSA-N,C8H12O4,172.18,172.0735589,0.9,74.6,177,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIVINYLCYCLOHEXANE",002855-27-8,96529,"1,2,4-tris(ethenyl)cyclohexane",C=CC1CCC(C(C1)C=C)C=C,"InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2",KTRQRAQRHBLCSQ-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.3,0,178,0,0,0,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
PHOSPHO (ENOL) PYRUVATE MONO (CYCLOHEXYLAMMONIUM),010526-80-4,82702,cyclohexanamine;2-phosphonooxyprop-2-enoic acid,C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)N,"InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)",VHFCNZDHPABZJO-UHFFFAOYSA-N,C9H18NO6P,267.22,267.0871743,,130,247,0,4,7,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERFLUORO-1,3,5-TRIMETHYLCYCLOHEXANE",000374-76-5,2776392,"1,1,2,3,3,4,5,5,6-nonafluoro-2,4,6-tris(trifluoromethyl)cyclohexane",C1(C(C(C(C(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F,"InChI=1S/C9F18/c10-1(7(19,20)21)4(13,14)2(11,8(22,23)24)6(17,18)3(12,5(1,15)16)9(25,26)27",MGOFOLPXKULBGG-UHFFFAOYSA-N,C9F18,450.07,449.9712569,6,0,490,0,0,18,0,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-CYCLOHEXANETRICARBOXYLIC ACID",016526-68-4,349732,"cyclohexane-1,3,5-tricarboxylic acid",C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)",FTHDNRBKSLBLDA-UHFFFAOYSA-N,C9H12O6,216.19,216.0633881,-0.3,112,237,0,3,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-[CYCLOHEXYLAMINO]-1-BUTANESULFONIC ACID,161308-34-5,11207078,4-(cyclohexylamino)butane-1-sulfonic acid,C1CCC(CC1)NCCCCS(=O)(=O)O,"InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)",XNPKNHHFCKSMRV-UHFFFAOYSA-N,C10H21NO3S,235.35,235.1242147,-1.1,74.8,252,0,2,4,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANEDIAMINETETRAACETIC ACID,125572-95-4,2723844,"2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate",C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O,"InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1",VASZYFIKPKYGNC-DHTOPLTISA-N,C14H24N2O9,364.35,364.1481804,,157,419,0,5,11,10,25,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXYL METHYL KETONE,000823-76-7,13207,1-cyclohexylethanone,CC(=O)C1CCCCC1,"InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3",RIFKADJTWUGDOV-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2,17.1,101,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANEDIACETIC ACID,004355-11-7,78061,2-[1-(carboxymethyl)cyclohexyl]acetic acid,C1CCC(CC1)(CC(=O)O)CC(=O)O,"InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)",YQPCHPBGAALCRT-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.8,74.6,210,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-3-AMINOCYCLOHEXANECARBOXYLIC ACID,016636-51-4,3082488,"cis-(1R,3S)-3-aminocyclohexane-1-carboxylic acid",C1C[C@H](C[C@H](C1)N)C(=O)O,"InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1",CKTUXQBZPWBFDX-RITPCOANSA-N,C7H13NO2,143.18,143.0946287,-2.2,63.3,136,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CIS-CYCLOHEXANE-1,4-DIAMINE DIHYDROCHLORIDE",002121-79-1,67930328,"cyclohexane-1,4-diamine;dihydrochloride",C1CC(CCC1N)N.Cl.Cl,"InChI=1S/C6H14N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h5-6H,1-4,7-8H2;2*1H",LSWJXVMHLYPGPM-UHFFFAOYSA-N,C6H16Cl2N2,187.11,186.0690539,,52,54,0,4,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-METHYL-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, (1.ALPHA",000089-47-4,119900,"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-methylbutanoate",C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)C)C(C)C,"InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1",VYQSSWZYPCCBRN-HZSPNIEDSA-N,C15H28O2,240.38,240.2089301,4.9,26.3,245,0,0,2,5,17,,260.00 to 262.00 °C. @ 750.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANEMETHANOL,000100-49-2,7507,cyclohexylmethanol,C1CCC(CC1)CO,"InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2",VSSAZBXXNIABDN-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.9,20.2,55,0,1,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFAMIC ACID, CYCLOHEXYL-",000100-88-9,7533,cyclohexylsulfamic acid,C1CCC(CC1)NS(=O)(=O)O,"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)",HCAJEUSONLESMK-UHFFFAOYSA-N,C6H13NO3S,179.24,179.0616145,0.6,74.8,200,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 1-METHYL-4-(1-METHYLETHENYL)-",000138-87-4,8748,1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol,CC(=C)C1CCC(CC1)(C)O,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3",RUJPNZNXGCHGID-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.5,20.2,152,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-",000498-81-7,10353,2-(4-methylcyclohexyl)propan-2-ol,CC1CCC(CC1)C(C)(C)O,"InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",UODXCYZDMHPIJE-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,2.8,20.2,121,0,1,1,1,11,,205.00 to 208.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-",000619-01-2,12072,2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol,CC1CCC(CC1O)C(=C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3",KRCZYMFUWVJCLI-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3,20.2,151,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 3,3,5-TRIMETHYL-, TRANS-",000767-54-4,7059661,"trans-(1R,5S)-3,3,5-trimethylcyclohexan-1-ol",C[C@@H]1C[C@H](CC(C1)(C)C)O,"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1",BRRVXFOKWJKTGG-HTQZYQBOSA-N,C9H18O,142.24,142.1357652,2.6,20.2,118,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 3,3,5-TRIMETHYL-, CIS-",000933-48-2,101921,"cis-(1S,5S)-3,3,5-trimethylcyclohexan-1-ol",C[C@@H]1C[C@@H](CC(C1)(C)C)O,"InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1",BRRVXFOKWJKTGG-SFYZADRCSA-N,C9H18O,142.24,142.1357652,2.6,20.2,118,0,1,1,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOHEXANECARBOXAMIDE,001122-56-1,14283,cyclohexanecarboxamide,C1CCC(CC1)C(=O)N,"InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)",PNZXMIKHJXIPEK-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1.2,43.1,105,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, [1R-(1.ALPHA.,2.BETA.,5.ALPHA.)]-",002216-51-5,16666,"(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol",C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",NOOLISFMXDJSKH-KXUCPTDWSA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,"196 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, [1S-(1.ALPHA.,2.ALPHA.,5.BETA.)]-",002216-52-6,439263,"(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol",C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1",NOOLISFMXDJSKH-UTLUCORTSA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,"196 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, CYCLOHEXYL ESTER",003066-71-5,18298,cyclohexyl prop-2-enoate,C=CC(=O)OC1CCCCC1,"InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2",KBLWLMPSVYBVDK-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,2.5,26.3,146,0,0,2,3,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1.ALPHA.,2.BETA.,5.BETA.)-(.+-.)-",003623-52-7,6432468,"(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol",C[C@H]1CC[C@H]([C@@H](C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1",NOOLISFMXDJSKH-LPEHRKFASA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-CYCLOHEXANEDICARBOXYLIC ACID",003971-31-1,107205,"cyclohexane-1,3-dicarboxylic acid",C1CC(CC(C1)C(=O)O)C(=O)O,"InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",XBZSBBLNHFMTEB-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,0.7,74.6,179,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PENTANONE, 4-CYCLOHEXYL-4-METHYL-",004927-39-3,78640,4-cyclohexyl-4-methylpentan-2-one,CC(=O)CC(C)(C)C1CCCCC1,"InChI=1S/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3",OAFJAALOFJVHMK-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,3.8,17.1,176,0,0,1,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 4-(1,1-DIMETHYLPROPYL)-",005349-51-9,79302,4-(2-methylbutan-2-yl)cyclohexan-1-ol,CCC(C)(C)C1CCC(CC1)O,"InChI=1S/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3",VDQZABQVXYELSI-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.6,20.2,132,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, 1-BROMO-2-METHYL-",006294-39-9,95430,1-bromo-2-methylcyclohexane,CC1CCCCC1Br,"InChI=1S/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3",KWQRRNDZNAXRGO-UHFFFAOYSA-N,C7H13Br,177.08,176.02006,3.3,0,70,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANECARBOXYLIC ACID, 4-(1-METHYLETHYL)-, TRANS-",007077-05-6,81526,4-propan-2-ylcyclohexane-1-carboxylic acid,CC(C)C1CCC(CC1)C(=O)O,"InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)",YRQKWRUZZCBSIG-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,2.9,37.3,155,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-BUTEN-2-ONE, 4-CYCLOHEXYL-",007152-32-1,5354903,(E)-4-cyclohexylbut-3-en-2-one,CC(=O)/C=C/C1CCCCC1,"InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7+",PZJXLLHDHUDWFH-BQYQJAHWSA-N,C10H16O,152.23,152.1201151,2.9,17.1,152,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID 3,3,5-TRIMETHYLCYCLOHEXYL ESTER",007779-31-9,111032,"(3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate",CC1CC(CC(C1)(C)C)OC(=O)C(=C)C,"InChI=1S/C13H22O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3",DABQKEQFLJIRHU-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,4.2,26.3,266,0,0,2,3,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"CYCLOHEXANECARBOXYLIC ACID, 4(OR 5)-CHLORO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER",012002-53-8,546164,tert-butyl 4-chloro-2-methylcyclohexane-1-carboxylate,CC1CC(CCC1C(=O)OC(C)(C)C)Cl,"InChI=1S/C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3",APMORJJNVZMVQK-UHFFFAOYSA-N,C12H21ClO2,232.74,232.1230076,3.4,26.3,232,0,0,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANESULFONIC ACID, 1-HYDROXY-, MONOSODIUM SALT",013489-81-1,23672294,sodium 1-hydroxycyclohexane-1-sulfonate,C1CCC(CC1)(O)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H12O4S.Na/c7-6(11(8,9)10)4-2-1-3-5-6;/h7H,1-5H2,(H,8,9,10);/q;+1/p-1",JRZIYJSQQILHNO-UHFFFAOYSA-M,C6H11NaO4S,202.21,202.0275743,,85.8,224,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 3-(AMINOMETHYL)-3,5,5-TRIMETHYL-",015647-11-7,85889,"3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol",CC1(CC(CC(C1)(C)CN)O)C,"InChI=1S/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3",YFEAYNIMJBHJCM-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,1.4,46.3,167,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-METHYL-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER",016409-46-4,565690,(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate,CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C,"InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3",VYQSSWZYPCCBRN-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,4.9,26.3,245,0,0,2,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANEMETHANOL, .ALPHA.-ETHYL-",017264-02-7,86535,1-cyclohexylpropan-1-ol,CCC(C1CCCCC1)O,"InChI=1S/C9H18O/c1-2-9(10)8-6-4-3-5-7-8/h8-10H,2-7H2,1H3",JVTXOMXEPFDMHB-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.9,20.2,84,0,1,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANECARBOXYLIC ACID, 2,2,6-TRIMETHYL-, ETHYL ESTER, TRANS-",022471-55-2,11735763,"trans-ethyl (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate",CCOC(=O)[C@@H]1[C@H](CCCC1(C)C)C,"InChI=1S/C12H22O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1",TUEUDXZEBRMJEV-UWVGGRQHSA-N,C12H22O2,198.3,198.1619799,3.8,26.3,208,0,0,2,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, [1S-(1.ALPHA.,2.BETA.,5.BETA.)]-",023283-97-8,45056,"(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol",C[C@@H]1CC[C@@H]([C@H](C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1",NOOLISFMXDJSKH-BBBLOLIVSA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,"196 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.-(1-METHYLETHYL)-",029474-12-2,65765,1-cyclohexyl-2-methylpropan-1-ol,CC(C)C(C1CCCCC1)O,"InChI=1S/C10H20O/c1-8(2)10(11)9-6-4-3-5-7-9/h8-11H,3-7H2,1-2H3",DZNUOUOIPRQTTB-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.3,20.2,103,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 3-(1,1-DIMETHYLETHYL)-, ACETATE",031846-06-7,89315,(3-tert-butylcyclohexyl) acetate,CC(=O)OC1CCCC(C1)C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",NHUNEDUXIBOQML-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,203,0,0,2,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-METHYLCYCLOHEXANEMETHANOL,034885-03-5,118193,(4-methylcyclohexyl)methanol,CC1CCC(CC1)CO,"InChI=1S/C8H16O/c1-7-2-4-8(6-9)5-3-7/h7-9H,2-6H2,1H3",OSINZLLLLCUKJH-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,20.2,72,0,1,1,1,9,112.8 °C (Setaflash Closed Cup) /Crude 4-methylcyclohexanemethanol/,BP: 75 °C at 2.5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 1-ETHENYL-2-(1-METHYLPROPYL)-, ACETATE",037172-02-4,162248,(2-butan-2-yl-1-ethenylcyclohexyl) acetate,CCC(C)C1CCCCC1(C=C)OC(=O)C,"InChI=1S/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3",KOSQMCNVEGXSCQ-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,4.1,26.3,259,0,0,2,5,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 4-(1,1-DIMETHYLETHYL)CYCLOHEXYL ESTER",046729-07-1,170769,(4-tert-butylcyclohexyl) 2-methylprop-2-enoate,CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1S/C14H24O2/c1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3",PILKNUBLAZTESB-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,4.3,26.3,265,0,0,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANEPROPANOL, .ALPHA.-ETHYL-2,2,6-TRIMETHYL-",060241-52-3,108424,"1-(2,2,6-trimethylcyclohexyl)pentan-3-ol",CCC(CCC1C(CCCC1(C)C)C)O,"InChI=1S/C14H28O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h11-13,15H,5-10H2,1-4H3",KFDLIAUEUFWVDE-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,4.9,20.2,186,0,1,1,4,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEBUTANOIC ACID, POTASSIUM SALT",062638-03-3,23692296,potassium 4-cyclohexylbutanoate,C1CCC(CC1)CCCC(=O)[O-].[K+],"InChI=1S/C10H18O2.K/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",LBYNWSSEILNGLN-UHFFFAOYSA-M,C10H17KO2,208.34,208.0865613,,40.1,142,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 1-CYCLOHEXYLETHYL ESTER",063449-88-7,94608,1-cyclohexylethyl butanoate,CCCC(=O)OC(C)C1CCCCC1,"InChI=1S/C12H22O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3",FTMSYMOBBRINAR-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.7,26.3,171,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.-METHYL-4-(1-METHYLETHYL)-",063767-86-2,114233,1-(4-propan-2-ylcyclohexyl)ethanol,CC(C)C1CCC(CC1)C(C)O,"InChI=1S/C11H22O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h8-12H,4-7H2,1-3H3",NEHPIUGJDUWSRR-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.4,20.2,123,0,1,1,2,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEPROPANOL, 2,2,6-TRIMETHYL-.ALPHA.-PROPYL-",070788-30-6,116699,"1-(2,2,6-trimethylcyclohexyl)hexan-3-ol",CCCC(CCC1C(CCCC1(C)C)C)O,"InChI=1S/C15H30O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h12-14,16H,5-11H2,1-4H3",BVDMQAQCEBGIJR-UHFFFAOYSA-N,C15H30O,226.4,226.2296656,5.2,20.2,198,0,1,1,5,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3,3,5-TRIMETHYLCYCLOHEXYL ACRYLATE",086178-38-3,98056,"(3,3,5-trimethylcyclohexyl) prop-2-enoate",CC1CC(CC(C1)(C)C)OC(=O)C=C,"InChI=1S/C12H20O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h5,9-10H,1,6-8H2,2-4H3",ZMTBGVBNTHTBEC-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.8,26.3,230,0,0,2,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-PROPANEDIOL, 3-[[5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL]OXY]-",087061-04-9,6850757,"3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol",C[C@@H]1CC[C@H]([C@@H](C1)OCC(CO)O)C(C)C,"InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1",MDVYIGJINBYKOM-IBSWDFHHSA-N,C13H26O3,230.34,230.1881947,2.3,49.7,194,0,2,3,5,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANEACETALDEHYDE, 4-(1-METHYLETHYL)-",093981-63-6,175577,2-(4-propan-2-ylcyclohexyl)acetaldehyde,CC(C)C1CCC(CC1)CC=O,"InChI=1S/C11H20O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h8-11H,3-7H2,1-2H3",DTUMUCFHNCPJHZ-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.4,17.1,132,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEXANDIAMINETETRAACETIC ACID, TRISODIUM SALT",036679-96-6,56842610,trisodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetate,C1CCC(C(C1)N(CC(=O)O)CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C14H22N2O8.3Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;/q;3*+1/p-3",YFTBBRKYHNWCBB-UHFFFAOYSA-K,C14H19N2Na3O8,412.28,412.0834484,,164,463,0,1,10,7,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(OC-6-21-(TRANS))-((N,N'-1,2-CYCLOHEXANEDIYLBIS(N-(CARBOXYMETHYL)GLYCINATO))(4-)-N,N',O,O',ON,ON')CUPRATE(2-)",019332-78-6,88011,"copper 2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate",C1CC[C@H]([C@@H](C1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Cu+2],"InChI=1S/C14H22N2O8.Cu/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);/q;+2/p-4/t9-,10-;/m1./s1",PWAQDUQNXWQWFC-DHTOPLTISA-J,C14H18CuN2O8-2,405.85,405.035913,,167,397,-2,0,10,6,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRANS-1,2-DICHLOROCYCLOHEXANE",000822-86-6,2723623,"trans-(1R,2R)-1,2-dichlorocyclohexane",C1CC[C@H]([C@@H](C1)Cl)Cl,"InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1",GZEZIBFVJYNETN-PHDIDXHHSA-N,C6H10Cl2,153.05,152.0159557,3.2,0,62,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLPHOSPHONIC ACID MONOCYCLOHEXYL ESTER,001932-60-1,150950,cyclohexyloxy(methyl)phosphinic acid,CP(=O)(O)OC1CCCCC1,"InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)",SWYGLBJVTQMYSE-UHFFFAOYSA-N,C7H15O3P,178.17,178.0758813,0.7,46.5,163,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexyl Methacrylate, Stabilized",000101-43-9,7561,cyclohexyl 2-methylprop-2-enoate,CC(=C)C(=O)OC1CCCCC1,"InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3",OIWOHHBRDFKZNC-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,2.9,26.3,178,0,0,2,3,12,,210 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"CYCLOHEXANOL, 2-METHOXY-",002979-24-0,102911,2-methoxycyclohexan-1-ol,COC1CCCCC1O,"InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3",DCQQZLGQRIVCNH-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,0.7,29.5,83,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, [1S-(1.ALPHA.,2.BETA.,5.ALPHA.)]-",015356-60-2,165675,"(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol",C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1",NOOLISFMXDJSKH-AEJSXWLSSA-N,C10H20O,156.26,156.1514153,3,20.2,120,0,1,1,1,11,"196 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOPHORONE DIISOCYANATE,004098-71-9,169132,"5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C,"InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3",NIMLQBUJDJZYEJ-UHFFFAOYSA-N,C12H18N2O2,222.28,222.1368278,4.5,58.9,352,0,0,4,3,16,"greater than 200 °F (NTP, 1992)","316 °F at 10 mmHg (NTP, 1992)",0,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"CYCLOHEXANEMETHANOL, 4-[(ETHENYLOXY)METHYL]-",114651-37-5,163934,[4-(ethenoxymethyl)cyclohexyl]methanol,C=COCC1CCC(CC1)CO,"InChI=1S/C10H18O2/c1-2-12-8-10-5-3-9(7-11)4-6-10/h2,9-11H,1,3-8H2",INRGAWUQFOBNKL-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,1.9,29.5,126,0,1,2,4,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANEACETALDEHYDE, .ALPHA.-METHYL-",002109-22-0,95560,2-cyclohexylpropanal,CC(C=O)C1CCCCC1,"InChI=1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3",UQURIQWAEZGLAC-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,3,17.1,103,0,0,1,2,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTENOIC ACID, 1-CYCLOHEXYLETHYL ESTER",068039-69-0,107073,1-cyclohexylethyl but-2-enoate,CC=CC(=O)OC(C)C1CCCCC1,"InChI=1S/C12H20O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3",ZNPGEERBEOWCEF-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.7,26.3,202,0,0,2,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-CYCLOHEXANEDICARBOXYLIC ACID, BIS(2-METHYLPROPYL) ESTER",070969-58-3,116722,"bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate",CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,"InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3",QUKHPBOCBWDYMW-UHFFFAOYSA-N,C16H28O4,284.39,284.1987594,4.2,52.6,290,0,0,4,8,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-((5-(3-(DODECANOYLOXY)-2,2-DIMETHYLPROPYLIDENEAMINO)-1,3,3-TRIMETHYLCYCLOHEXYL)METHYLIMINO)-2,2-DIMETHYLPROPYL DODECANOATE",932742-30-8,89999196,"[3-[[5-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]-1,3,3-trimethylcyclohexyl]methylimino]-2,2-dimethylpropyl] dodecanoate",CCCCCCCCCCCC(=O)OCC(C)(C)C=NCC1(CC(CC(C1)(C)C)N=CC(C)(C)COC(=O)CCCCCCCCCCC)C,"InChI=1S/C44H82N2O4/c1-10-12-14-16-18-20-22-24-26-28-39(47)49-36-42(5,6)33-45-35-44(9)31-38(30-41(3,4)32-44)46-34-43(7,8)37-50-40(48)29-27-25-23-21-19-17-15-13-11-2/h33-34,38H,10-32,35-37H2,1-9H3",PLCJQVXNAMXZGB-UHFFFAOYSA-N,C44H82N2O4,703.1,702.6274591,14,77.3,969,0,0,6,31,50,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, ACETATE",000080-25-1,6631,2-(4-methylcyclohexyl)propan-2-yl acetate,CC1CCC(CC1)C(C)(C)OC(=O)C,"InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3",HBNHCGDYYBMKJN-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.4,26.3,200,0,0,2,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANOL, 4-(1,1-DIMETHYLETHYL)-, ACETATE, TRANS-",001900-69-2,36081,(4-tert-butylcyclohexyl) acetate,CC(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",MBZRJSQZCBXRGK-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.4,26.3,195,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BIS[(VINYLOXY)METHYL]CYCLOHEXANE",017351-75-6,3437285,"1,4-bis(ethenoxymethyl)cyclohexane",C=COCC1CCC(CC1)COC=C,"InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2",DQNSRQYYCSXZDF-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.1,18.5,149,0,0,2,6,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-CYCLOHEXANEDIMETHANOL",000105-08-8,7735,[4-(hydroxymethyl)cyclohexyl]methanol,C1CC(CCC1CO)CO,"InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2",YIMQCDZDWXUDCA-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,0.6,40.5,73,0,2,2,2,10,166 °C,"286 °C (cis-isomer), 283 °C (trans-isomer)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1S,2S)-TRANS-1,2-CYCLOHEXANEDIOL",057794-08-8,7057110,"trans-(1S,2S)-cyclohexane-1,2-diol",C1CC[C@@H]([C@H](C1)O)O,"InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1",PFURGBBHAOXLIO-WDSKDSINSA-N,C6H12O2,116.16,116.0837296,0.2,40.5,62,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"CYCLOHEXANOL, 4-(1-METHYLETHYL)-",004621-04-9,20739,4-propan-2-ylcyclohexan-1-ol,CC(C)C1CCC(CC1)O,"InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3",DKKRDMLKVSKFMJ-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.6,20.2,90,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-CYCLOHEXYL-2-METHYL-2-BUTANOL,083926-73-2,14434313,4-cyclohexyl-2-methylbutan-2-ol,CC(C)(CCC1CCCCC1)O,"InChI=1S/C11H22O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-9H2,1-2H3",KZZASWGRLOTITL-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.6,20.2,123,0,1,1,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(CYCLOHEXYLAMINO)ETHANESULFONIC ACID,000103-47-9,66898,2-(cyclohexylamino)ethanesulfonic acid,C1CCC(CC1)NCCS(=O)(=O)O,"InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)",MKWKNSIESPFAQN-UHFFFAOYSA-N,C8H17NO3S,207.29,207.0929146,-1.2,74.8,226,0,2,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRANS-4-(AMINOMETHYL) CYCLOHEXANECARBOXYLIC ACID,001197-18-8,5526,4-(aminomethyl)cyclohexane-1-carboxylic acid,C1CC(CCC1CN)C(=O)O,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)",GYDJEQRTZSCIOI-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,-2,63.3,139,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-N'-1,2-CYCLOHEXANEDIYLBIS(N-(CARBOXYMETHYL)GLYCINE, MAGNESIUM SODIUM SALT (1:1",063451-33-2,113230,magnesium;disodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate,C1CCC(C(C1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Mg+2],"InChI=1S/C14H22N2O8.Mg.2Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;/q;+2;2*+1/p-4",RNRKFHMTSMNMCO-UHFFFAOYSA-J,C14H18MgN2Na2O8,412.59,412.0708958,,167,397,0,0,10,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIBROM-4-(1,2-DIBROMOETHYL) CYCLOHEXANE",003322-93-8,18728,"1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane",C1CC(C(CC1C(CBr)Br)Br)Br,"InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2",PQRRSJBLKOPVJV-UHFFFAOYSA-N,C8H12Br4,427.8,427.76315,4.6,0,139,0,0,0,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM MAGNESIUM SALT",003615-82-5,19234,"calcium;magnesium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate",C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2],"InChI=1S/C6H18O24P6.Ca.Mg/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+2/p-12",JWJNVODPOMYTLT-UHFFFAOYSA-B,C6H6CaMgO24P6-8,712.32,711.7151056,,435,749,-8,0,24,6,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-",013491-79-7,26068,2-tert-butylcyclohexan-1-ol,CC(C)(C)C1CCCCC1O,"InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3",DLTWBMHADAJAAZ-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3,20.2,123,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.,3,3-TRIMETHYL-, ACETATE",025225-10-9,91339,"1-(3,3-dimethylcyclohexyl)ethyl acetate",CC(C1CCCC(C1)(C)C)OC(=O)C,"InChI=1S/C12H22O2/c1-9(14-10(2)13)11-6-5-7-12(3,4)8-11/h9,11H,5-8H2,1-4H3",YWVSYRJWCROMKO-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,208,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEETHANOL, .BETA.-METHYL-4-(1-METHYLETHYL)-",067634-03-1,106731,2-(4-propan-2-ylcyclohexyl)propan-1-ol,CC(C)C1CCC(CC1)C(C)CO,"InChI=1S/C12H24O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h9-13H,4-8H2,1-3H3",XZAQOBPFWUNKMM-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.1,20.2,134,0,1,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANOL, 1-[[2-(1,1-DIMETHYLETHYL)CYCLOHEXYL]OXY]-",139504-68-0,164422,1-(2-tert-butylcyclohexyl)oxybutan-2-ol,CCC(COC1CCCCC1C(C)(C)C)O,"InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3",GQBVHGLNSHPKPG-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,3.8,29.5,195,0,1,2,5,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEDIAMINETETRAACETIC ACID, DISODIUM SALT",057137-35-6,112500442,"disodium;2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;hydron",[H+].[H+].C1CC[C@H]([C@@H](C1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+],"InChI=1S/C14H22N2O8.2Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2/t9-,10-;;/m1../s1",TVTLKUMLAQUFAS-HSTMFJOWSA-L,C14H20N2Na2O8,390.3,390.1015042,,167,397,0,2,10,6,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE",000094-60-0,7198,"dimethyl cyclohexane-1,4-dicarboxylate",COC(=O)C1CCC(CC1)C(=O)OC,"InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3",LNGAGQAGYITKCW-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.1,52.6,192,0,0,4,4,14,,265 °C (mixed isomer),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 4-(1,1-DIMETHYLETHYL)-",000098-52-2,7391,4-tert-butylcyclohexan-1-ol,CC(C)(C)C1CCC(CC1)O,"InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3",CCOQPGVQAWPUPE-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3,20.2,115,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLCYCLOHEXANOL,000591-23-1,11566,3-methylcyclohexan-1-ol,CC1CCCC(C1)O,"InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3",HTSABYAWKQAHBT-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,20.2,70,0,1,1,0,8,62 °C c.c.,162.00 to 164.00 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MENTHYL ACETATE,000089-48-5,27867,(5-methyl-2-propan-2-ylcyclohexyl) acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",XHXUANMFYXWVNG-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,198,0,0,2,3,14,,227 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEACETIC ACID, .ALPHA.-METHYL-, ETHYL ESTER",002511-00-4,160641,ethyl 2-cyclohexylpropanoate,CCOC(=O)C(C)C1CCCCC1,"InChI=1S/C11H20O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",PZUDDXJZNSJESK-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.7,26.3,159,0,0,2,4,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, [1R-(1.ALPHA.,2.BETA.,5.AL",002623-23-6,220674,"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate",C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C,"InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1",XHXUANMFYXWVNG-ADEWGFFLSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,198,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEMETHANOL, .ALPHA.,3,3-TRIMETHYL-, FORMATE",025225-08-5,91337,"1-(3,3-dimethylcyclohexyl)ethyl formate",CC(C1CCCC(C1)(C)C)OC=O,"InChI=1S/C11H20O2/c1-9(13-8-12)10-5-4-6-11(2,3)7-10/h8-10H,4-7H2,1-3H3",NFASPEPDTMCBEN-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.6,26.3,175,0,0,2,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 1-METHYL-4-(1-METHYLETHYL)-, ACETATE",026252-11-9,117304,(1-methyl-4-propan-2-ylcyclohexyl) acetate,CC(C)C1CCC(CC1)(C)OC(=O)C,"InChI=1S/C12H22O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h9,11H,5-8H2,1-4H3",PXLKJWMSFPYVNB-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.2,26.3,200,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANEPROPANOL, .ALPHA.,.BETA.,2,2,6-PENTAMETHYL-",060241-53-4,108425,"3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol",CC1CCCC(C1CC(C)C(C)O)(C)C,"InChI=1S/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3",HMENPFAAAQWASO-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,4.8,20.2,198,0,1,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 4-(1-METHYLETHYL)-, PROPANOATE",063449-95-6,95689,(4-propan-2-ylcyclohexyl) propanoate,CCC(=O)OC1CCC(CC1)C(C)C,"InChI=1S/C12H22O2/c1-4-12(13)14-11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3",FFEOEKMMMQFWBO-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.4,26.3,179,0,0,2,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 3,3,5-TRIMETHYL-, ACETATE",067859-96-5,106917,"(3,3,5-trimethylcyclohexyl) acetate",CC1CC(CC(C1)(C)C)OC(=O)C,"InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3",OIVWFAFCHQDCCG-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.2,26.3,196,0,0,2,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 2-(1,1-DIMETHYLPROPYL)-, ACETATE",067874-72-0,62240,[2-(2-methylbutan-2-yl)cyclohexyl] acetate,CCC(C)(C)C1CCCCC1OC(=O)C,"InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3",YEVACTAGDANHRH-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,4.1,26.3,221,0,0,2,4,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-4-METHYL-, ACETATE",115724-27-1,16206258,(2-tert-butyl-4-methylcyclohexyl) acetate,CC1CCC(C(C1)C(C)(C)C)OC(=O)C,"InChI=1S/C13H24O2/c1-9-6-7-12(15-10(2)14)11(8-9)13(3,4)5/h9,11-12H,6-8H2,1-5H3",CQAJCSVXUQEABC-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,3.8,26.3,227,0,0,2,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, ACETATE, CIS-",020298-69-5,21116400,"[(1S,2S)-2-tert-butylcyclohexyl] acetate",CC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m1/s1",FINOAUDUYKVGDS-MNOVXSKESA-N,C12H22O2,198.3,198.1619799,3.6,26.3,203,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, ACETATE, TRANS-",020298-70-8,88481,"[(1R,2S)-2-tert-butylcyclohexyl] acetate",CC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1",FINOAUDUYKVGDS-GHMZBOCLSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,203,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-(1,1-DIMETHYLETHYL)CYCLOHEXANOL ACETATE",000088-41-5,62334,(2-tert-butylcyclohexyl) acetate,CC(=O)OC1CCCCC1C(C)(C)C,"InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3",FINOAUDUYKVGDS-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.6,26.3,203,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-CYCLOHEXANEDICARBOXYLIC ACID, DI-2-PROPENYL ESTER",013846-31-6,101161,"bis(prop-2-enyl) cyclohexane-1,2-dicarboxylate",C=CCOC(=O)C1CCCCC1C(=O)OCC=C,"InChI=1S/C14H20O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-4,11-12H,1-2,5-10H2",HEBKPAWCVUSXMB-UHFFFAOYSA-N,C14H20O4,252.31,252.1361591,2.8,52.6,290,0,0,4,8,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANE, 1,1-DIETHOXY-",001670-47-9,74279,"1,1-diethoxycyclohexane",CCOC1(CCCCC1)OCC,"InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3",MWUDABUKTZAZCX-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2.4,18.5,109,0,0,2,4,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER",017162-29-7,28358,(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate,CC1CCC(C(C1)OC(=O)C(C)O)C(C)C,"InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3",UJNOLBSYLSYIBM-UHFFFAOYSA-N,C13H24O3,228.33,228.1725446,3.3,46.5,237,0,1,3,4,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID, 2-(1,1-DIMETHYLETHYL)CYCLOHEXYL ETHYL ESTER",067801-64-3,105664,(2-tert-butylcyclohexyl) ethyl carbonate,CCOC(=O)OC1CCCCC1C(C)(C)C,"InChI=1S/C13H24O3/c1-5-15-12(14)16-11-9-7-6-8-10(11)13(2,3)4/h10-11H,5-9H2,1-4H3",ZHWLEUGSDGROJS-UHFFFAOYSA-N,C13H24O3,228.33,228.1725446,4.3,35.5,230,0,0,3,5,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
p-Menthane-8-hydroperoxide,80-47-7,6644,1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane,CC1CCC(CC1)C(C)(C)OO,"InChI=1S/C10H20O2/c1-8-4-6-9(7-5-8)10(2,3)12-11/h8-9,11H,4-7H2,1-3H3",XSZYESUNPWGWFQ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2.8,29.5,135,0,1,2,2,12,"127 °F (NTP, 1992)",,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,0
"Cyclohexaneethylamine, alpha,N-dimethyl-",101-40-6,7558,1-cyclohexyl-N-methylpropan-2-amine,CC(CC1CCCCC1)NC,"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",JCRIVQIOJSSCQD-UHFFFAOYSA-N,C10H21N,155.28,155.1673997,3.5,12,95,0,1,1,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, cyclohexyl-",698-90-8,69684,cyclohexylurea,C1CCC(CC1)NC(=O)N,"InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)",WUESWDIHTKHGQA-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,0.5,55.1,119,0,2,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamide, N-cyclohexyl-",766-93-8,13017,N-cyclohexylformamide,C1CCC(CC1)NC=O,"InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)",SWGXDLRCJNEEGZ-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1.4,29.1,86,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclohexanediol",931-17-9,13601,"cyclohexane-1,2-diol",C1CCC(C(C1)O)O,"InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2",PFURGBBHAOXLIO-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,40.5,62,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexaneethylamine, N,alpha-dimethyl-, hydrochloride",1007-33-6,102541,1-cyclohexyl-N-methylpropan-2-amine;hydrochloride,CC(CC1CCCCC1)NC.Cl,"InChI=1S/C10H21N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H",WLEGHNSHAIHZPS-UHFFFAOYSA-N,C10H22ClN,191.74,191.1440774,,12,95,0,2,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarboxylic acid, 1-methyl-",1123-25-7,70744,1-methylcyclohexane-1-carboxylic acid,CC1(CCCCC1)C(=O)O,"InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)",REHQLKUNRPCYEW-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.2,37.3,134,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 1-allyl-",1123-34-8,79145,1-prop-2-enylcyclohexan-1-ol,C=CCC1(CCCCC1)O,"InChI=1S/C9H16O/c1-2-6-9(10)7-4-3-5-8-9/h2,10H,1,3-8H2",ZSLKGUQYEQVKQE-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.3,20.2,112,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-cyclohexyl-",1124-53-4,14301,N-cyclohexylacetamide,CC(=O)NC1CCCCC1,"InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)",WRAGCBBWIYQMRF-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1.1,29.1,116,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexylamine, N-isopropyl-",1195-42-2,62386,N-propan-2-ylcyclohexanamine,CC(C)NC1CCCCC1,"InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3",UYYCVBASZNFFRX-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.4,12,82,0,1,1,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
Cyclohexaneacetamide,1503-87-3,95078,2-cyclohexylacetamide,C1CCC(CC1)CC(=O)N,"InChI=1S/C8H15NO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)",DKLQJNUJPSHYQG-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1.8,43.1,116,0,1,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 1-ethyl-",1940-18-7,16021,1-ethylcyclohexan-1-ol,CCC1(CCCCC1)O,"InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3",BUCJHJXFXUZJHL-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.1,20.2,82,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 1-vinyl-",1940-19-8,74741,1-ethenylcyclohexan-1-ol,C=CC1(CCCCC1)O,"InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2",ZXKHOVDDJMJXQP-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.8,20.2,101,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydroxylamine, N-cyclohexyl-",2211-64-5,72935,N-cyclohexylhydroxylamine,C1CCC(CC1)NO,"InChI=1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2",GUQRKZPMVLRXLT-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,1.1,32.3,59,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,5,6-Cyclohexanehexacarboxylic acid",2216-84-4,102227,"cyclohexane-1,2,3,4,5,6-hexacarboxylic acid",C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",DTGRIEIJTWNZQF-UHFFFAOYSA-N,C12H12O12,348.22,348.0328758,-2.8,224,470,0,6,12,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cyclohexanesulfonamide,2438-38-2,75536,cyclohexanesulfonamide,C1CCC(CC1)S(=O)(=O)N,"InChI=1S/C6H13NO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)",AAYHAFZXFMIUSN-UHFFFAOYSA-N,C6H13NO2S,163.24,163.0666998,0.7,68.5,186,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-cyclohexyl-",2612-32-0,15293,"2-cyclohexylpropane-1,3-diol",C1CCC(CC1)C(CO)CO,"InChI=1S/C9H18O2/c10-6-9(7-11)8-4-2-1-3-5-8/h8-11H,1-7H2",CMNVSZHIHFLQFS-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,1.9,40.5,93,0,2,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 2-ethoxy-",2979-26-2,98428,2-ethoxycyclohexan-1-ol,CCOC1CCCCC1O,"InChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3",PKOQGLKMAXRWPD-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.1,29.5,93,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexane, (1,1-dimethylethyl)-",3178-22-1,18508,tert-butylcyclohexane,CC(C)(C)C1CCCCC1,"InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",XTVMZZBLCLWBPM-UHFFFAOYSA-N,C10H20,140.27,140.1565006,4.7,0,91,0,0,0,1,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"p-Menthane-3,8-diol, cis-1,3,trans-1,4-",3564-98-5,19100,"(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol",C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O,"InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1",LMXFTMYMHGYJEI-IWSPIJDZSA-N,C10H20O2,172.26,172.1463299,2.2,40.5,154,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexane, 1,1-dinitro-",4028-15-3,165172,"1,1-dinitrocyclohexane",C1CCC(CC1)([N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H10N2O4/c9-7(10)6(8(11)12)4-2-1-3-5-6/h1-5H2,OWJVEZJJRYZWNI-UHFFFAOYSA-N,C6H10N2O4,174.15,174.0640568,1.7,91.6,183,0,0,4,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclohexaneethanesulfonamide,4378-98-7,95198,2-cyclohexylethanesulfonamide,C1CCC(CC1)CCS(=O)(=O)N,"InChI=1S/C8H17NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,9,10,11)",ZLYYBOONIHMVRO-UHFFFAOYSA-N,C8H17NO2S,191.29,191.098,2,68.5,212,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cyclohexaneboronic acid,4441-56-9,199578,cyclohexylboronic acid,B(C1CCCCC1)(O)O,"InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2",XDRVAZAFNWDVOE-UHFFFAOYSA-N,C6H13BO2,127.98,128.1008598,,40.5,79,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-cyclohexyl-",4442-85-7,20509,2-cyclohexylethanamine,C1CCC(CC1)CCN,"InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2",HFACYWDPMNWMIW-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2.4,26,65,0,1,1,2,9,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2,2'-cyclohexyliminodi-",4500-29-2,20587,2-[cyclohexyl(2-hydroxyethyl)amino]ethanol,C1CCC(CC1)N(CCO)CCO,"InChI=1S/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2",HHPDFYDITNAMAM-UHFFFAOYSA-N,C10H21NO2,187.28,187.1572289,0.7,43.7,118,0,2,3,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"Urea, 1-cyclohexyl-2-thio-",5055-72-1,1471603,cyclohexylthiourea,C1CCC(CC1)NC(=S)N,"InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)",LEEHHPPLIOFGSC-UHFFFAOYSA-N,C7H14N2S,158.27,158.0877696,1.4,70.1,119,0,2,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, N-methyl-N-nitroso-",5432-28-0,21567,N-cyclohexyl-N-methylnitrous amide,CN(C1CCCCC1)N=O,"InChI=1S/C7H14N2O/c1-9(8-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3",KZRHBQXJMQDNEZ-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,2,32.7,110,0,0,3,1,10,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexaneethylamine, hydrochloride",5471-55-6,200008,2-cyclohexylethanamine;hydrochloride,C1CCC(CC1)CCN.Cl,"InChI=1S/C8H17N.ClH/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7,9H2;1H",UZNMRHPOSFFDLD-UHFFFAOYSA-N,C8H18ClN,163.69,163.1127773,,26,65,0,2,1,2,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclohexanepentanoic acid,5962-88-9,94769,5-cyclohexylpentanoic acid,C1CCC(CC1)CCCCC(=O)O,"InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)",YMUHUYBRWUUAJF-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.9,37.3,148,0,1,2,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexaneethylamine, N,alpha-dimethyl-, hydrochloride, (-)-",6192-98-9,111166,(2S)-1-cyclohexyl-N-methylpropan-2-amine;hydrochloride,C[C@@H](CC1CCCCC1)NC.Cl,"InChI=1S/C10H21N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H/t9-;/m0./s1",WLEGHNSHAIHZPS-FVGYRXGTSA-N,C10H22ClN,191.74,191.1440774,,12,95,0,2,1,3,12,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanecarbonitrile, 1-(methylamino)-",6289-40-3,94865,1-(methylamino)cyclohexane-1-carbonitrile,CNC1(CCCCC1)C#N,"InChI=1S/C8H14N2/c1-10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3",DSMAHJDZYJDGTD-UHFFFAOYSA-N,C8H14N2,138.21,138.1156985,1.2,35.8,148,0,1,2,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexane-1,2-dicarboxylic acid, diethyl ester",10138-59-7,24990,"diethyl cyclohexane-1,2-dicarboxylate",CCOC(=O)C1CCCCC1C(=O)OCC,"InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3",ZTUZDYWYNQDJKR-UHFFFAOYSA-N,C12H20O4,228.28,228.1361591,2.2,52.6,223,0,0,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-cyclohexyloxy-",10305-41-6,231081,"3-cyclohexyloxypropane-1,2-diol",C1CCC(CC1)OCC(CO)O,"InChI=1S/C9H18O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-11H,1-7H2",OWTXHZITCDRRTI-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,0.6,49.7,110,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-",13380-84-2,202819,4-(hydroxymethyl)cyclohexane-1-carboxylic acid,C1CC(CCC1CO)C(=O)O,"InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)",VQMIUUBKKPIDBN-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,0.5,57.5,136,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Cyclohexanediamine, 1-methyl-",13897-55-7,117174,"4-methylcyclohexane-1,3-diamine",CC1CCC(CC1N)N,"InChI=1S/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3",QTKDDPSHNLZGRO-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.1,52,92,0,2,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclohexaneacetic acid, alpha-ethyl-, 2-(diethylaminoethyl) ester, citrate (1:1)",14601-95-7,203507,"2-(diethylamino)ethyl 2-cyclohexylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid",CCC(C1CCCCC1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C16H31NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-15H,4-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",FSDBTUMIKFVKQC-UHFFFAOYSA-N,C22H39NO9,461.5,461.2624818,,162,473,0,4,10,14,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarbonitrile, 1-(dimethylamino)-",16499-30-2,101188,1-(dimethylamino)cyclohexane-1-carbonitrile,CN(C)C1(CCCCC1)C#N,"InChI=1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3",SDHHZJUUIBWPPN-UHFFFAOYSA-N,C9H16N2,152.24,152.1313485,1.7,27,169,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propyne, 3-cyclohexyl-",17715-00-3,87265,prop-2-ynylcyclohexane,C#CCC1CCCCC1,"InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2",UARFKZSJGDQRLF-UHFFFAOYSA-N,C9H14,122.21,122.1095504,3.5,0,109,0,0,0,1,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 1-((trimethylsilyl)ethynyl)-",17962-22-0,205445,1-(2-trimethylsilylethynyl)cyclohexan-1-ol,C[Si](C)(C)C#CC1(CCCCC1)O,"InChI=1S/C11H20OSi/c1-13(2,3)10-9-11(12)7-5-4-6-8-11/h12H,4-8H2,1-3H3",LHRITDPHGURSFT-UHFFFAOYSA-N,C11H20OSi,196.36,196.1283418,,20.2,232,0,1,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 4-ethyl-, (mixture of cis and trans)",19781-62-5,78293,4-ethylcyclohexan-1-ol,CCC1CCC(CC1)O,"InChI=1S/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3",RVTKUJWGFBADIN-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.3,20.2,72,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazinecarbothioamide, N-cyclohexyl-",21198-18-5,722813,1-amino-3-cyclohexylthiourea,C1CCC(CC1)NC(=S)NN,"InChI=1S/C7H15N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h6H,1-5,8H2,(H2,9,10,11)",LVEUHPMMNLURRJ-UHFFFAOYSA-N,C7H15N3S,173.28,173.0986687,0.7,82.2,132,0,3,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarbonitrile, 1-(ethylamino)-",22912-24-9,211339,1-(ethylamino)cyclohexane-1-carbonitrile,CCNC1(CCCCC1)C#N,"InChI=1S/C9H16N2/c1-2-11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3",FVHNIWSSACDLBF-UHFFFAOYSA-N,C9H16N2,152.24,152.1313485,1.6,35.8,160,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexaneacrylic acid, beta-methyl-",25229-42-9,71704,3-cyclohexylbut-2-enoic acid,CC(=CC(=O)O)C1CCCCC1,"InChI=1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)",WVRIPRILKKOIQL-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,3.4,37.3,188,0,1,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanemethylamine, N-methyl-",25756-29-0,117276,1-cyclohexyl-N-methylmethanamine,CNCC1CCCCC1,"InChI=1S/C8H17N/c1-9-7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3",IWHLPMBLJZJCJK-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2.2,12,65,0,1,1,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexane, dimethyl-",27195-67-1,11549,"1,1-dimethylcyclohexane",CC1(CCCCC1)C,"InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3",QEGNUYASOUJEHD-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.9,0,64,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanemethylamine, alpha-methyl-, hydrochloride",27586-72-7,214023,1-cyclohexylethanamine;hydrochloride,CC(C1CCCCC1)N.Cl,"InChI=1S/C8H17N.ClH/c1-7(9)8-5-3-2-4-6-8;/h7-8H,2-6,9H2,1H3;1H",SESCRFJUMZOXDM-UHFFFAOYSA-N,C8H18ClN,163.69,163.1127773,,26,74,0,2,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, cyclohexyl-, hydrochloride",30929-57-8,207836,cyclohexylhydrazine;hydrochloride,C1CCC(CC1)NN.Cl,"InChI=1S/C6H14N2.ClH/c7-8-6-4-2-1-3-5-6;/h6,8H,1-5,7H2;1H",JZRHODNPRNTXKO-UHFFFAOYSA-N,C6H15ClN2,150.65,150.0923762,,38.1,57,0,3,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Platinum (II), dichlorobis(methylamine)-, trans-",38780-40-4,151742,"cyclohexane-1,2-diamine;platinum(2+);dichloride",C1CCC(C(C1)N)N.[Cl-].[Cl-].[Pt+2],"InChI=1S/C6H14N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+2/p-2",PNNCIXRVXCLADM-UHFFFAOYSA-L,C6H14Cl2N2Pt,380.18,379.018198,,52,62,0,2,4,0,11,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanecarboxylic acid, 4-isobutyl-",38792-88-0,217396,4-(2-methylpropyl)cyclohexane-1-carboxylic acid,CC(C)CC1CCC(CC1)C(=O)O,"InChI=1S/C11H20O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13)",NFJJRCCYQXONBL-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.5,37.3,167,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclohexanecarboxylic acid, 4-pentyl-",38792-89-1,98882,4-pentylcyclohexane-1-carboxylic acid,CCCCCC1CCC(CC1)C(=O)O,"InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)",RVLAXPQGTRTHEV-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.3,37.3,169,0,1,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-",42822-86-6,556998,2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol,CC1CCC(C(C1)O)C(C)(C)O,"InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3",LMXFTMYMHGYJEI-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2.2,40.5,154,0,2,2,1,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Platinum(II), (cyclohexane-1,2-diammine)dichloro-",52691-24-4,151689,"cyclohexane-1,2-diamine;dichloroplatinum",C1CCC(C(C1)N)N.Cl[Pt]Cl,"InChI=1S/C6H14N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+2/p-2",PNNCIXRVXCLADM-UHFFFAOYSA-L,C6H14Cl2N2Pt,380.18,379.018198,,52,65,0,2,2,0,11,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Penten-1-one, 1-(3,3-dimethylcyclohexyl)-",56973-87-6,6453423,"1-(3,3-dimethylcyclohexyl)pent-4-en-1-one",CC1(CCCC(C1)C(=O)CCC=C)C,"InChI=1S/C13H22O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,11H,1,5-10H2,2-3H3",OHYNEUHOSWPWLZ-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,3.7,17.1,215,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-cyclohexyl-",58695-41-3,42810,2-(cyclohexylamino)acetic acid,C1CCC(CC1)NCC(=O)O,"InChI=1S/C8H15NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11)",OQMYZVWIXPPDDE-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,-0.9,49.3,130,0,2,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, N-ethyl-, hydrochloride",61278-98-6,162937,N-ethylcyclohexanamine;hydrochloride,CCNC1CCCCC1.Cl,"InChI=1S/C8H17N.ClH/c1-2-9-8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3;1H",BSHBXSSYUNZEKK-UHFFFAOYSA-N,C8H18ClN,163.69,163.1127773,,12,65,0,2,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum, (1,2-cyclohexanediamine-N,N')(ethanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))-",61825-94-3,9887054,"oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine",C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2],"InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1",ZROHGHOFXNOHSO-BNTLRKBRSA-L,C8H14N2O4Pt,397.29,397.060151,,132,123,0,2,6,0,15,,100ºC,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,0,1,1,0,1
"Ethylamine, 2-cyclohexyl-N-methyl-",62141-38-2,43930,2-cyclohexyl-N-methylethanamine,CNCCC1CCCCC1,"InChI=1S/C9H19N/c1-10-8-7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3",KCYFTGSOYOWCJF-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.9,12,74,0,1,1,3,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, 1-methyl-, hydrochloride",89854-70-6,3021577,1-methylcyclohexan-1-amine;hydrochloride,CC1(CCCCC1)N.Cl,"InChI=1S/C7H15N.ClH/c1-7(8)5-3-2-4-6-7;/h2-6,8H2,1H3;1H",VNLCPYWZTADPJD-UHFFFAOYSA-N,C7H16ClN,149.66,149.0971272,,26,72,0,2,1,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexylamine, N,1-dimethyl-, hydrochloride",90226-21-4,3021676,"N,1-dimethylcyclohexan-1-amine;hydrochloride",CC1(CCCCC1)NC.Cl,"InChI=1S/C8H17N.ClH/c1-8(9-2)6-4-3-5-7-8;/h9H,3-7H2,1-2H3;1H",WKXPBYSLCRZGRN-UHFFFAOYSA-N,C8H18ClN,163.69,163.1127773,,12,82,0,2,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, 1,2,2-trimethyl-, hydrochloride",91391-68-3,3021814,"1,2,2-trimethylcyclohexan-1-amine;hydrochloride",CC1(CCCCC1(C)N)C.Cl,"InChI=1S/C9H19N.ClH/c1-8(2)6-4-5-7-9(8,3)10;/h4-7,10H2,1-3H3;1H",BMQKLGWZPXOGPD-UHFFFAOYSA-N,C9H20ClN,177.71,177.1284273,,26,129,0,2,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentanoic acid, 4-amino-5-((4,4-dimethylcyclohexyl)amino)-5-oxo-, (S)-",163000-63-3,3074827,"(4S)-4-amino-5-[(4,4-dimethylcyclohexyl)amino]-5-oxopentanoic acid",CC1(CCC(CC1)NC(=O)[C@H](CCC(=O)O)N)C,"InChI=1S/C13H24N2O3/c1-13(2)7-5-9(6-8-13)15-12(18)10(14)3-4-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1",VCRGLZYPNNAVRP-JTQLQIEISA-N,C13H24N2O3,256.34,256.1786926,-1.3,92.4,305,0,3,4,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanecarboxylic acid, 1-amino-3-methyl-",,3028072,1-amino-3-methylcyclohexane-1-carboxylic acid,CC1CCCC(C1)(C(=O)O)N,"InChI=1S/C8H15NO2/c1-6-3-2-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)",CTSBXWGZZLXIRA-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,-1.4,63.3,169,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclohexanedicarboxylic acid, trans-",,75315,"trans-(1S,2S)-cyclohexane-1,2-dicarboxylic acid",C1CC[C@@H]([C@H](C1)C(=O)O)C(=O)O,"InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1",QSAWQNUELGIYBC-WDSKDSINSA-N,C8H12O4,172.18,172.0735589,0.9,74.6,177,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester",,6784,"bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC,"InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3",DIMOQAGSNHTROK-UHFFFAOYSA-N,C24H44O4,396.6,396.3239599,7.8,52.6,394,0,0,4,16,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum(II), (cyclohexane-1,2-diammine)dichloro-, (E)-(+)-",,426607,(2-azanidylcyclohexyl)azanide;dichloroplatinum(2+),C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2]Cl,"InChI=1S/C6H12N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;2*1H;/q-2;;;+4/p-2",UUERTZXRKZEANK-UHFFFAOYSA-L,C6H12Cl2N2Pt,378.16,377.002548,,2,84,0,2,2,0,11,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-BIPHENYLDICARBONYL CHLORIDE",002351-37-3,75374,4-(4-carbonochloridoylphenyl)benzoyl chloride,C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl,InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H,QDBOAKPEXMMQFO-UHFFFAOYSA-N,C14H8Cl2O2,279.1,277.9901349,5.4,34.1,282,0,0,2,3,18,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
FLUENETIL,004301-50-2,20288,2-fluoroethyl 2-(4-phenylphenyl)acetate,C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)OCCF,"InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2",XAERLJMOUYEBAB-UHFFFAOYSA-N,C16H15FO2,258.29,258.1056079,3.9,26.3,266,0,0,3,6,19,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BIPHENYLACETIC ACID,005728-52-9,3332,2-(4-phenylphenyl)acetic acid,C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O,"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)",QRZAKQDHEVVFRX-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3,37.3,223,0,1,2,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIMETHOXY-4,4'-BIPHENYLENE DIISOCYANATE",000091-93-0,7069,1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,"InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3",QZWKEPYTBWZJJA-UHFFFAOYSA-N,C16H12N2O4,296.28,296.0797069,5.1,77.3,415,0,0,6,5,22,245 °C,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Biphenylacetic acid, 2-fluoro-alpha-methyl-",005104-49-4,3394,2-(3-fluoro-4-phenylphenyl)propanoic acid,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",SYTBZMRGLBWNTM-UHFFFAOYSA-N,C15H13FO2,244.26,244.0899578,4.2,37.3,286,0,1,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"4-Biphenylacetic acid, alpha-methyl-",006341-72-6,22810,2-(4-phenylphenyl)propanoic acid,CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O,"InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)",JALUUBQFLPUJMY-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,3.5,37.3,248,0,1,2,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-BROMODIPHENYL,000092-66-0,7101,1-bromo-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)Br,InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,PKJBWOWQJHHAHG-UHFFFAOYSA-N,C12H9Br,233.1,231.98876,4.7,0,141,0,0,0,1,13,"290 °F (NTP, 1992)","590 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIBROMOBIPHENYL",000092-86-4,7110,1-bromo-4-(4-bromophenyl)benzene,C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br,InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,HQJQYILBCQPYBI-UHFFFAOYSA-N,C12H8Br2,312,311.89723,5.7,0,145,0,0,0,1,14,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBIPHENYL,000092-67-1,7102,4-phenylaniline,C1=CC=C(C=C1)C2=CC=C(C=C2)N,"InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2",DMVOXQPQNTYEKQ-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,2.9,26,141,0,1,1,1,13,"greater than 235 °F (NTP, 1992)","576 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZIDINE,000092-87-5,7111,4-(4-aminophenyl)aniline,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,"InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2",HFACYLZERDEVSX-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,1.3,52,145,0,2,2,1,14,,"752 °F at 740 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
O-DIANISIDINE,000119-90-4,8411,4-(4-amino-3-methoxyphenyl)-2-methoxyaniline,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N,"InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3",JRBJSXQPQWSCCF-UHFFFAOYSA-N,C14H16N2O2,244.29,244.1211778,2.2,70.5,236,0,2,4,3,18,"403 °F (NTP, 1992)",,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
O-DIANISIDINE DIHYDROCHLORIDE,020325-40-0,62311,4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,"InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H",UXTIAFYTYOEQHV-UHFFFAOYSA-N,C14H18Cl2N2O2,317.2,316.0745332,,70.5,236,0,4,4,3,20,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-DINITROBIPHENYL",001528-74-1,15216,1-nitro-4-(4-nitrophenyl)benzene,C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,BDLNCFCZHNKBGI-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,3.6,91.6,275,0,0,4,1,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIPHENOL",001806-29-7,15731,2-(2-hydroxyphenyl)phenol,C1=CC=C(C(=C1)C2=CC=CC=C2O)O,"InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H",IMHDGJOMLMDPJN-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,3,40.5,161,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZIDINE DIHYDROCHLORIDE,000531-85-1,10754,4-(4-aminophenyl)aniline;dihydrochloride,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,"InChI=1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H",RUAXWVDEYJEWRY-UHFFFAOYSA-N,C12H14Cl2N2,257.16,256.0534038,,52,145,0,4,2,1,16,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROBIPHENYL,000321-60-8,67579,1-fluoro-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2F,InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,KLECYOQFQXJYBC-UHFFFAOYSA-N,C12H9F,172.2,172.0688284,4,0,149,0,0,1,1,13,,"478 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2',4,4'-TETRAHYDROXYBIPHENYL",004371-31-7,20387,"4-(2,4-dihydroxyphenyl)benzene-1,3-diol",C1=CC(=C(C=C1O)O)C2=C(C=C(C=C2)O)O,"InChI=1S/C12H10O4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6,13-16H",CFGDTWRKBRQUFB-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,2.4,80.9,209,0,4,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIAMINOBENZIDINE TETRAHYDROCHLORIDE HYDRATE",868272-85-9,16211746,"4-(3,4-diaminophenyl)benzene-1,2-diamine;hydrate;tetrahydrochloride",C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.O.Cl.Cl.Cl.Cl,"InChI=1S/C12H14N4.4ClH.H2O/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;;/h1-6H,13-16H2;4*1H;1H2",DXWSCXIZIHILNP-UHFFFAOYSA-N,C12H20Cl4N4O,378.1,378.036172,,105,209,0,9,5,1,21,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"4,4'-BIS(BROMOMETHYL)BIPHENYL",020248-86-6,621238,1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene,C1=CC(=CC=C1CBr)C2=CC=C(C=C2)CBr,"InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2",HMUGRILXVBKBID-UHFFFAOYSA-N,C14H12Br2,340.05,339.92853,5.5,0,167,0,0,0,3,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZIDINE HDAC,052754-64-0,118952,acetic acid;4-(4-aminophenyl)aniline,CC(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)N)N,"InChI=1S/C12H12N2.C2H4O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)",AAECWZSULYTBQR-UHFFFAOYSA-N,C14H16N2O2,244.29,244.1211778,,89.3,176,0,3,4,1,18,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DIBROMO-1,1'-BIPHENYL",016400-51-4,153987,1-bromo-3-(3-bromophenyl)benzene,C1=CC(=CC(=C1)Br)C2=CC(=CC=C2)Br,InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,LPLLWKZDMKTEMV-UHFFFAOYSA-N,C12H8Br2,312,311.89723,4.9,0,161,0,0,0,1,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
AROCLOR 1254,011097-69-1,40470,"1,2,3-trichloro-4-(2,3-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H,AUGNBQPSMWGAJE-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.7,0,259,0,0,0,1,17,222 °C,Distillation range 365-390 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3',5,5'-TETRAMETHYLBENZIDINE DIHYDROCHLORIDE",064285-73-0,174033,"4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrochloride",CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C.Cl.Cl,"InChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H",NYNRGZULARUZCC-UHFFFAOYSA-N,C16H22Cl2N2,313.3,312.1160041,,52,226,0,4,2,1,20,,,0,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
2-NITROBIPHENYL,000086-00-0,6829,1-nitro-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-],InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,YOJKKXRJMXIKSR-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,3.7,45.8,218,0,0,2,1,15,"290 °F (NTP, 1992)","608 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BIPHENYLCARBOXYLIC ACID,000092-92-2,66724,4-phenylbenzoic acid,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)",NNJMFJSKMRYHSR-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.5,37.3,211,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,3',5,5'-TETRAMETHYLBENZIDINE",054827-17-7,41206,"4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline",CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C,"InChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H3",UAIUNKRWKOVEES-UHFFFAOYSA-N,C16H20N2,240.34,240.1626486,3.6,52,226,0,2,2,1,18,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
4-BIPHENYLCARBOXALDEHYDE,003218-36-8,76689,4-phenylbenzaldehyde,C1=CC=C(C=C1)C2=CC=C(C=C2)C=O,InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,ISDBWOPVZKNQDW-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.4,17.1,174,0,0,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITROBIPHENYL,002113-58-8,16450,1-nitro-3-phenylbenzene,C1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-],InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,FYRPEHRWMVMHQM-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,3.9,45.8,218,0,0,2,1,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BIPHENYLMETHANOL,003597-91-9,19186,(4-phenylphenyl)methanol,C1=CC=C(C=C1)C2=CC=C(C=C2)CO,"InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2",AXCHZLOJGKSWLV-UHFFFAOYSA-N,C13H12O,184.23,184.088815,3.4,20.2,153,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2,2'-DIBROMOBIPHENYL",013029-09-9,83060,1-bromo-2-(2-bromophenyl)benzene,C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br,InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,DRKHIWKXLZCAKP-UHFFFAOYSA-N,C12H8Br2,312,311.89723,5.1,0,161,0,0,0,1,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,3',4,4'-PENTACHLOROBIPHENYL",032598-14-4,36188,"1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H,WIDHRBRBACOVOY-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.6,0,259,0,0,0,1,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"4,4'-DIIODOBIPHENYL",003001-15-8,76348,1-iodo-4-(4-iodophenyl)benzene,C1=CC(=CC=C1C2=CC=C(C=C2)I)I,InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,GPYDMVZCPRONLW-UHFFFAOYSA-N,C12H8I2,406,405.87155,5.7,0,145,0,0,0,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4'-PENTYL-4-BIPHENYLCARBONITRILE,040817-08-1,92319,4-(4-pentylphenyl)benzonitrile,CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3",HHPCNRKYVYWYAU-UHFFFAOYSA-N,C18H19N,249.3,249.1517496,5.4,23.8,284,0,0,1,5,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DECAFLUOROBIPHENYL,000434-90-2,67949,"1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene",C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F,InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,ONUFSRWQCKNVSL-UHFFFAOYSA-N,C12F10,334.11,333.9840316,4.6,0,326,0,0,10,1,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-Cyano-4'-hydroxybiphenyl,019812-93-2,140610,4-(4-hydroxyphenyl)benzonitrile,C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O,"InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H",ZRMIETZFPZGBEB-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,2.9,44,239,0,1,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-BIPHENYL)-4,4'-DITHIOL",006954-27-4,81399,4-(4-sulfanylphenyl)benzenethiol,C1=CC(=CC=C1C2=CC=C(C=C2)S)S,"InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H",VRPKUXAKHIINGG-UHFFFAOYSA-N,C12H10S2,218.3,218.0223927,4.6,2,145,0,2,2,1,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-(4-FORMYLPHENYL) BENZOIC ACID,222180-20-3,2794723,3-(4-formylphenyl)benzoic acid,C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C=O,"InChI=1S/C14H10O3/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)14(16)17/h1-9H,(H,16,17)",PLPKINAPTMTZJU-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3.1,54.4,279,0,1,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(1,1-DIMETHYLETHYL)[3,4,5,6,-TETRAMETHYL-2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL] PHOSPHINE",857356-94-6,11953610,"ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane",CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C,"InChI=1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3",RCRYEYMHBHPZQD-UHFFFAOYSA-N,C33H53P,480.7,480.3884887,9.9,0,600,0,0,0,7,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIPHENYLDICARBONITRILE",001591-30-6,15321,4-(4-cyanophenyl)benzonitrile,C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N,InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,KAXYYLCSSXFXKR-UHFFFAOYSA-N,C14H8N2,204.23,204.0687483,3.8,47.6,279,0,0,2,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(2-BIPHENYL)DI-TERT-BUTYLPHOSPHINE,224311-51-7,2734215,ditert-butyl-(2-phenylphenyl)phosphane,CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C,"InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3",CNXMDTWQWLGCPE-UHFFFAOYSA-N,C20H27P,298.4,298.1850379,5.1,0,300,0,0,0,4,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-4'-NITROBIPHENYL,001211-40-1,14593,4-(4-nitrophenyl)aniline,C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])N,"InChI=1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2",BOFVBIYTBGDQGY-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,1.9,71.8,236,0,1,3,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TBUXPHOS,564483-19-8,11618717,"ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane",CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C,"InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3",SACNIGZYDTUHKB-UHFFFAOYSA-N,C29H45P,424.6,424.3258884,8.5,0,485,0,0,0,7,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3'-FORMYL(1,1'-BIPHENYL)-3-CARBOXYLIC ACID",222180-19-0,2794721,3-(3-formylphenyl)benzoic acid,C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=O)O)C=O,"InChI=1S/C14H10O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H,(H,16,17)",QOCUSJPHQSKJJR-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,2.5,54.4,287,0,1,3,3,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-BIPHENYLDICARBOXALDEHYDE",000066-98-8,6200,4-(4-formylphenyl)benzaldehyde,C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O,InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H,FEHLIYXNTWAEBQ-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,3.3,34.1,207,0,0,2,3,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CYANODIPHENYL,002920-38-9,18021,4-phenylbenzonitrile,C1=CC=C(C=C1)C2=CC=C(C=C2)C#N,InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,BPMBNLJJRKCCRT-UHFFFAOYSA-N,C13H9N,179.22,179.0734993,3.7,23.8,211,0,0,1,1,14,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2',3,3',5,5',6,6'-OCTAFLUORO-4,4'-BIPHENYLDICARBONITRILE",028442-30-0,631555,"4-(4-cyano-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzonitrile",C(#N)C1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)C#N)F)F)F)F,InChI=1S/C14F8N2/c15-7-3(1-23)8(16)12(20)5(11(7)19)6-13(21)9(17)4(2-24)10(18)14(6)22,HNVWQUWFHAHEHY-UHFFFAOYSA-N,C14F8N2,348.15,347.9933733,3.8,47.6,488,0,0,10,1,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BIPHENYL BORONIC ACID,004688-76-0,4589187,(2-phenylphenyl)boronic acid,B(C1=CC=CC=C1C2=CC=CC=C2)(O)O,"InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H",HYCYKHYFIWHGEX-UHFFFAOYSA-N,C12H11BO2,198.03,198.0852098,,40.5,190,0,2,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"6,6'-DIHYDROXY-5,5'-DIMETHOXY-(1,1'-BIPHENL)-3,3'-DICARBOXALDEHYDE",002092-49-1,95086,3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde,COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=O)OC)O)C=O,"InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3",NSTQUZVZBUTVPY-UHFFFAOYSA-N,C16H14O6,302.28,302.0790382,1.7,93.1,351,0,2,6,5,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BIPHENYL-4-THIOL,019813-90-2,2760414,4-phenylbenzenethiol,C1=CC=C(C=C1)C2=CC=C(C=C2)S,"InChI=1S/C12H10S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H",KRVHFFQFZQSNLB-UHFFFAOYSA-N,C12H10S,186.27,186.0503215,4.1,1,141,0,1,1,1,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DIFLUOROBIPHENL",000396-64-5,123058,1-fluoro-3-(3-fluorophenyl)benzene,C1=CC(=CC(=C1)F)C2=CC(=CC=C2)F,InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,GAYJHUJLHJWCTH-UHFFFAOYSA-N,C12H8F2,190.19,190.0594066,3.7,0,161,0,0,2,1,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIFLUNISAL (FEMALE),022494-42-4,3059,"5-(2,4-difluorophenyl)-2-hydroxybenzoic acid",C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",HUPFGZXOMWLGNK-UHFFFAOYSA-N,C13H8F2O3,250.2,250.0441504,4.4,57.5,311,0,2,5,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
SODIUM ORTHOPHENYLPHENOXIDE,000132-27-4,23675735,sodium 2-phenylphenolate,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],"InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1",KSQXVLVXUFHGJQ-UHFFFAOYSA-M,C12H9NaO,192.19,192.0551092,,23.1,154,0,0,1,1,14,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-TOLIDINE DIHYDROCHLORIDE,000612-82-8,108938,4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,"InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H",LUKPNZHXJRJBAN-UHFFFAOYSA-N,C14H18Cl2N2,285.2,284.084704,,52,205,0,4,2,1,18,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINOBIPHENYL,000090-41-5,7015,2-phenylaniline,C1=CC=C(C=C1)C2=CC=CC=C2N,"InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2",TWBPWBPGNQWFSJ-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,2.8,26,149,0,1,1,1,13,"greater than 235 °F (NTP, 1992)","570 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-N-DIACETYLBENZIDINE,000613-35-4,11942,N-[4-(4-acetamidophenyl)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C,"InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)",CZVHCFKUXGRABC-UHFFFAOYSA-N,C16H16N2O2,268.31,268.1211778,1.9,58.2,306,0,2,2,3,20,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
O-TOLIDINE,000119-93-7,8413,4-(4-amino-3-methylphenyl)-2-methylaniline,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N,"InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3",NUIURNJTPRWVAP-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,2.3,52,205,0,2,2,1,16,137 °C,"392 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYL BIPHENYL,025640-78-2,20259910,"1,1'-biphenyl;propane",CCC.C1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C12H10.C3H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;3H2,1-2H3",QTKIQLNGOKOPOE-UHFFFAOYSA-N,C15H18,198.3,198.1408506,,0,100,0,0,0,1,15,,Range = 295-305 °C,1,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DIISOPROPYL BIPHENYL,069009-90-1,16204503,"1-phenyl-2,3-di(propan-2-yl)benzene",CC(C)C1=CC=CC(=C1C(C)C)C2=CC=CC=C2,"InChI=1S/C18H22/c1-13(2)16-11-8-12-17(18(16)14(3)4)15-9-6-5-7-10-15/h5-14H,1-4H3",AMBHHSBRXZAGDZ-UHFFFAOYSA-N,C18H22,238.4,238.1721507,5.8,0,234,0,0,0,3,18,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
4'-OCTYL-4-BIPHENYLCARBONITRILE,052709-84-9,104289,4-(4-octylphenyl)benzonitrile,CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3",CSQPODPWWMOTIY-UHFFFAOYSA-N,C21H25N,291.4,291.1986998,7.3,23.8,323,0,0,1,8,22,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"P,P-BIPHENOL",000092-88-6,7112,4-(4-hydroxyphenyl)phenol,C1=CC(=CC=C1C2=CC=C(C=C2)O)O,"InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H",VCCBEIPGXKNHFW-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,3.6,40.5,145,0,2,2,1,14,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,3'-DICHLOROBENZIDINE DIHYDROCHLORIDE",000612-83-9,11933,4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,"InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H",BXAONUZFBUNTQR-UHFFFAOYSA-N,C12H12Cl4N2,326,325.972509,,52,213,0,4,2,1,18,,,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,3'-DICHLOROBENZIDINE",000091-94-1,7070,4-(4-amino-3-chlorophenyl)-2-chloroaniline,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,"InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2",HUWXDEQWWKGHRV-UHFFFAOYSA-N,C12H10Cl2N2,253.12,252.0221037,3.5,52,213,0,2,2,1,16,,"788 °F at 760 mmHg (NIOSH, 2024)",1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4,4'-DIPHENYLDISULFONIC ACID",005314-37-4,79202,4-(4-sulfophenyl)benzenesulfonic acid,C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)",ABSXMLODUTXQDJ-UHFFFAOYSA-N,C12H10O6S2,314.3,313.9918804,1,126,461,0,2,6,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMO-4'-PHENYLACETOPHENONE,000135-73-9,67282,2-bromo-1-(4-phenylphenyl)ethanone,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr,"InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2",KGHGZRVXCKCJGX-UHFFFAOYSA-N,C14H11BrO,275.14,273.99933,4.6,17.1,225,0,0,1,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-BIS(CHLOROMETHYL)-1,1'-BIPHENYL",001667-10-3,74275,1-(chloromethyl)-4-[4-(chloromethyl)phenyl]benzene,C1=CC(=CC=C1CCl)C2=CC=C(C=C2)CCl,"InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2",INZDTEICWPZYJM-UHFFFAOYSA-N,C14H12Cl2,251.1,250.0316058,5.1,0,167,0,0,0,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"4,4'-BIPHENYLDISULFONYL CHLORIDE",003406-84-6,76950,4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride,C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H",OTFAWEIFBPUXOH-UHFFFAOYSA-N,C12H8Cl2O4S2,351.2,349.9241065,3.6,85,467,0,0,4,3,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"(1,1'-BIPHENYL)-4-SULPHONYL CHLORIDE",001623-93-4,74192,4-phenylbenzenesulfonyl chloride,C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl,"InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H",ALBQXDHCMLLQMB-UHFFFAOYSA-N,C12H9ClO2S,252.72,252.0011784,4,42.5,306,0,0,2,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
O-PHENYLPHENOL,000090-43-7,7017,2-phenylphenol,C1=CC=C(C=C1)C2=CC=CC=C2O,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",LLEMOWNGBBNAJR-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,3.1,20.2,149,0,1,1,1,13,"255 °F (NTP, 1992)","527 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"4'-FLUORO-[1,1'-BIPHENYL]-4-CARBONITRILE",010540-31-5,1393040,4-(4-fluorophenyl)benzonitrile,C1=CC(=CC=C1C#N)C2=CC=C(C=C2)F,InChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H,URIGWZMDTRKUSJ-UHFFFAOYSA-N,C13H8FN,197.21,197.0640774,4.2,23.8,239,0,0,2,1,15,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4',5-TRIBROMO-1,1'-BIPHENYL",072416-87-6,155722,"1,3-dibromo-5-(4-bromophenyl)benzene",C1=CC(=CC=C1C2=CC(=CC(=C2)Br)Br)Br,InChI=1S/C12H7Br3/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7H,PMLLBFUHDNYTAP-UHFFFAOYSA-N,C12H7Br3,390.9,389.80774,5.6,0,189,0,0,0,1,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
P-HYDROXYDIPHENYL,000092-69-3,7103,4-phenylphenol,C1=CC=C(C=C1)C2=CC=C(C=C2)O,"InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H",YXVFYQXJAXKLAK-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,3.2,20.2,141,0,1,1,1,13,165.5 °C,305-308 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRAMETHYLBENZIDINE",000366-29-0,9702,"4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C,"InChI=1S/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3",YRNWIFYIFSBPAU-UHFFFAOYSA-N,C16H20N2,240.34,240.1626486,4.6,6.5,207,0,0,2,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENYLPHENOL,000580-51-8,11381,3-phenylphenol,C1=CC=C(C=C1)C2=CC(=CC=C2)O,"InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H",UBXYXCRCOKCZIT-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,3.2,20.2,149,0,1,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BIPHENYLCARBOXYLIC ACID,000947-84-2,70357,2-phenylbenzoic acid,C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O,"InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)",ILYSAKHOYBPSPC-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,2.9,37.3,219,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENIC ACID,000482-05-3,10210,2-(2-carboxyphenyl)benzoic acid,C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O,"InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)",GWZCCUDJHOGOSO-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,2.1,74.6,294,0,2,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLBIPHENYL,000644-08-6,12566,1-methyl-4-phenylbenzene,CC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3",ZZLCFHIKESPLTH-UHFFFAOYSA-N,C13H12,168.23,168.0939004,4.6,0,136,0,0,0,1,13,,267.00 to 268.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DINITRO-2-BIPHENYLAMINE",051787-75-8,93265,5-nitro-2-(4-nitrophenyl)aniline,C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C12H9N3O4/c13-12-7-10(15(18)19)5-6-11(12)8-1-3-9(4-2-8)14(16)17/h1-7H,13H2",FRZPYFUNNLIMEC-UHFFFAOYSA-N,C12H9N3O4,259.22,259.0593058,2.5,118,344,0,1,5,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIAMINOOCTAFLUOROBIPHENYL",001038-66-0,70582,"4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroaniline",C1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)N)F)F,InChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2,FWOLORXQTIGHFX-UHFFFAOYSA-N,C12H4F8N2,328.16,328.0246734,3,52,333,0,2,10,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOBIPHENYL,002052-07-5,16329,1-bromo-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2Br,InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,KTADSLDAUJLZGL-UHFFFAOYSA-N,C12H9Br,233.1,231.98876,4.6,0,149,0,0,0,1,13,,"565 to 568 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIMETHYLBIPHENYL",000612-75-9,11931,1-methyl-3-(3-methylphenyl)benzene,CC1=CC(=CC=C1)C2=CC=CC(=C2)C,"InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3",GVEDOIATHPCYGS-UHFFFAOYSA-N,C14H14,182.26,182.1095504,4.3,0,153,0,0,0,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOBIPHENYL,002113-57-7,16449,1-bromo-3-phenylbenzene,C1=CC=C(C=C1)C2=CC(=CC=C2)Br,InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,USYQKCQEVBFJRP-UHFFFAOYSA-N,C12H9Br,233.1,231.98876,4.6,0,149,0,0,0,1,13,,"570 to 574 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-HYDROXY-4-BIPHENYLCARBOXYLIC ACID,058574-03-1,301556,4-(4-hydroxyphenyl)benzoic acid,C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O,"InChI=1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16)",JTGCXYYDAVPSFD-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.2,57.5,236,0,2,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIBROMOOCTAFLUOROBIPHENYL",010386-84-2,82600,"1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene",C1(=C(C(=C(C(=C1F)F)Br)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F,InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18,YXLMNFVUNLCJJY-UHFFFAOYSA-N,C12Br2F8,455.92,455.82185,5.7,0,333,0,0,8,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLTOLUENE,000643-58-3,12563,1-methyl-2-phenylbenzene,CC1=CC=CC=C1C2=CC=CC=C2,"InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3",ALLIZEAXNXSFGD-UHFFFAOYSA-N,C13H12,168.23,168.0939004,3.9,0,144,0,0,0,1,13,"Sure Sol-170: 180 °F closed cup Sure Sol-175: 175 °F closed cup /Sure sol-170: 38% methylbiphenyls, 25% biphenyl, 37% dimethyl naphthalenes; sure sol-175 55% methylbiphenyls, 14% biphenyl, and 31% other C12+ aromatic hydrocarbons/",255.3 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIPHENYL-D10,001486-01-7,137030,"1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",ZUOUZKKEUPVFJK-LHNTUAQVSA-N,C12H10,164.27,164.1410178,4,0,100,0,0,0,1,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENYLTOLUENE,000643-93-6,12564,1-methyl-3-phenylbenzene,CC1=CC(=CC=C1)C2=CC=CC=C2,"InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3",NPDIDUXTRAITDE-UHFFFAOYSA-N,C13H12,168.23,168.0939004,3.9,0,144,0,0,0,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DI-TERT-BUTYLBIPHENYL",001625-91-8,74195,1-tert-butyl-4-(4-tert-butylphenyl)benzene,CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C,"InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3",CDKCEZNPAYWORX-UHFFFAOYSA-N,C20H26,266.4,266.2034508,7.7,0,253,0,0,0,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLBIPHENYL,000092-91-1,7113,1-(4-phenylphenyl)ethanone,CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3",QCZZSANNLWPGEA-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.7,17.1,207,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BIPHENYLBORONIC ACID,005122-94-1,151253,(4-phenylphenyl)boronic acid,B(C1=CC=C(C=C1)C2=CC=CC=C2)(O)O,"InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H",XPEIJWZLPWNNOK-UHFFFAOYSA-N,C12H11BO2,198.03,198.0852098,,40.5,182,0,2,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIPHENYLDIBORONIC ACID",004151-80-8,2734608,[4-(4-boronophenyl)phenyl]boronic acid,B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O,"InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H",SLHKDOGTVUCXKX-UHFFFAOYSA-N,C12H12B2O4,241.8,242.0921692,,80.9,220,0,4,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIPHENYLDICARBOXYLIC ACID",000787-70-2,13084,4-(4-carboxyphenyl)benzoic acid,C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O,"InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)",NEQFBGHQPUXOFH-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,3.4,74.6,278,0,2,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 4'-HYDROXY-4-BIPHENYLCARBOXYLATE,050670-76-3,4049156,ethyl 4-(4-hydroxyphenyl)benzoate,CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)O,"InChI=1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3",FYXQIMAAEMCZLV-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,4.1,46.5,261,0,1,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2, 3-DIHYDROXYBIPHENYL",001133-63-7,254,"3-phenylbenzene-1,2-diol",C1=CC=C(C=C1)C2=C(C(=CC=C2)O)O,"InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H",YKOQAAJBYBTSBS-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.7,40.5,175,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[3,6-DIMETHOXY-2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL]BIS(1,1-DIMETHYLETHYL)PHOSPHINE",1160861-53-9,44233348,"ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane",CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C,"InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3",REWLCYPYZCHYSS-UHFFFAOYSA-N,C31H49O2P,484.7,484.3470178,8.4,18.5,582,0,0,2,9,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL (1,1-BIPHENYL)-4,4'-DICARBOXYLATE",000792-74-5,13099,methyl 4-(4-methoxycarbonylphenyl)benzoate,COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC,"InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3",BKRIRZXWWALTPU-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.9,52.6,302,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYNYLBIPHENYL,029079-00-3,34464,1-ethynyl-4-phenylbenzene,C#CC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H",BPBNKCIVWFCMJY-UHFFFAOYSA-N,C14H10,178.23,178.0782503,4.5,0,205,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,6'-DIHYDROXY-5,5'-DIMETHOXY(1,1'-BIPHENYL)-3,3'-DICARBOXYLIC ACID",002134-90-9,16487,3-(5-carboxy-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzoic acid,COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C(=O)O)OC)O)C(=O)O,"InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)",QGCWGSXMGCSFDM-UHFFFAOYSA-N,C16H14O8,334.28,334.0688674,1.8,134,425,0,4,8,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H,4H'-OCTAFLUOROBIPHENYL",003883-86-1,77492,"1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene",C1=C(C(=C(C(=C1F)F)C2=C(C(=CC(=C2F)F)F)F)F)F,InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H,QWCHHUZAAGRHDB-UHFFFAOYSA-N,C12H2F8,298.13,298.0028754,4.4,0,279,0,0,8,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biphenyl, 4-(chloromethyl)-",001667-11-4,15463,1-(chloromethyl)-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)CCl,"InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2",HLQZCRVEEQKNMS-UHFFFAOYSA-N,C13H11Cl,202.68,202.054928,4.7,0,153,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIAMINO-2,2'-BIPHENYLDISULFONIC ACID",000117-61-3,8337,5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid,C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O,"InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)",MBJAPGAZEWPEFB-UHFFFAOYSA-N,C12H12N2O6S2,344.4,344.0136785,-0.3,178,540,0,4,8,3,22,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2',4'-DIMETHOXY-BIPHENYL-4-CARBOXYLIC ACID",,2758408,"4-(2,4-dimethoxyphenyl)benzoic acid",COC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC,"InChI=1S/C15H14O4/c1-18-12-7-8-13(14(9-12)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3,(H,16,17)",XVVFNXGUNVVYOR-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3,55.8,297,0,1,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIPHENYL,000092-52-4,7095,"1,1'-biphenyl",C1=CC=C(C=C1)C2=CC=CC=C2,InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,C12H10,154.21,154.0782503,4,0,100,0,0,0,1,12,"235 °F (NTP, 1992)","489 to 491 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-Dimethyl-4,4'-Diphenylene Diisocyanate",000091-97-4,7072,1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O,"InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3",ICLCCFKUSALICQ-UHFFFAOYSA-N,C16H12N2O2,264.28,264.0898776,5.9,58.9,384,0,0,4,3,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-(4-METHOXY(1,1'-BIPHENYL)-3-YL)HYDRAZINECARBOXYLIC ACID, 1-METHYLETHYL ESTER",149877-41-8,176879,propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate,CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC,"InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)",VHLKTXFWDRXILV-UHFFFAOYSA-N,C17H20N2O3,300.35,300.1473925,4.2,59.6,343,0,2,4,6,22,,Decomposes at 240 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"3,3',5,5'-TETRABROMOBIPHENYL",016400-50-3,635340,"1,3-dibromo-5-(3,5-dibromophenyl)benzene",C1=C(C=C(C=C1Br)Br)C2=CC(=CC(=C2)Br)Br,InChI=1S/C12H6Br4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H,FXJXZYWFJAXIJX-UHFFFAOYSA-N,C12H6Br4,469.79,469.7162,6.3,0,189,0,0,0,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-DIIODO-2,2'-DIMETHYL-1,1'-BIPHENYL",069571-02-4,13797298,4-iodo-1-(4-iodo-2-methylphenyl)-2-methylbenzene,CC1=C(C=CC(=C1)I)C2=C(C=C(C=C2)I)C,"InChI=1S/C14H12I2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3",WHFMNDMHTIOIMS-UHFFFAOYSA-N,C14H12I2,434.05,433.90285,5.6,0,205,0,0,0,1,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-4-PHENYLPHENOL.,000092-04-6,7074,2-chloro-4-phenylphenol,C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl,"InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H",BZWMYDJJDBFAPE-UHFFFAOYSA-N,C12H9ClO,204.65,204.0341926,4.3,20.2,177,0,1,1,1,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-BIS(MERCAPTOMETHYL)BIPHENYL",043012-19-7,373780,[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol,C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS,"InChI=1S/C14H14S2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2",XFHIDPOTWOFDEM-UHFFFAOYSA-N,C14H14S2,246.4,246.0536928,4.5,2,167,0,2,2,3,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DIAMINOBENZIDINE",000091-95-2,7071,"4-(3,4-diaminophenyl)benzene-1,2-diamine",C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N,"InChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2",HSTOKWSFWGCZMH-UHFFFAOYSA-N,C12H14N4,214.27,214.1218465,0.9,104,209,0,4,4,1,16,>200 °C,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3,3'-DIAMINOBENZIDINE TETRAHYDROCHLORIDE DIHYDRATE",167684-17-5,2829715,"4-(3,4-diaminophenyl)benzene-1,2-diamine;dihydrate;tetrahydrochloride",C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.O.O.Cl.Cl.Cl.Cl,"InChI=1S/C12H14N4.4ClH.2H2O/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;;;/h1-6H,13-16H2;4*1H;2*1H2",BXIYIGBKSGVJOS-UHFFFAOYSA-N,C12H22Cl4N4O2,396.1,396.046737,,106,209,0,10,6,1,22,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3,3'-DIAMINOBENZIDINE TETRAHYDROCHLORIDE",007411-49-6,23892,"4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride",C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,"InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H",KJDSORYAHBAGPP-UHFFFAOYSA-N,C12H18Cl4N4,360.1,360.025607,,104,209,0,8,4,1,20,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
4-NITROBIPHENYL,000092-93-3,7114,1-nitro-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,BAJQRLZAPXASRD-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,3.8,45.8,210,0,0,2,1,15,"290 °F (NIOSH, 2024)","644 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DIHYDROXY-4,4'-DIAMINOBIPHENYL",002373-98-0,16918,2-amino-5-(4-amino-3-hydroxyphenyl)phenol,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N,"InChI=1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2",ZGDMDBHLKNQPSD-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,1.5,92.5,213,0,4,4,1,16,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POLYBROMINATED BIPHENYLS,059536-65-1,158629,"1,2,3-tribromo-4-(3,4,5-tribromophenyl)benzene",C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,InChI=1S/C12H4Br6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H,PCEAPJVBSINMNW-UHFFFAOYSA-N,C12H4Br6,627.6,627.53518,7.7,0,274,0,0,0,1,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,3',4,5'-PENTACHLOROBIPHENYL",070362-41-3,91704,"1,2,3-trichloro-4-(3,5-dichlorophenyl)benzene",C1=CC(=C(C(=C1C2=CC(=CC(=C2)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-7-3-6(4-8(14)5-7)9-1-2-10(15)12(17)11(9)16/h1-5H,MPCDNZSLJWJDNW-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,7,0,249,0,0,0,1,17,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
FAST BLUE SALT B,020282-70-6,66685,4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N,"InChI=1S/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2",QMMMCTXNYMSXLI-UHFFFAOYSA-N,C14H12N4O2+2,268.27,268.0960256,4.8,74.8,383,2,0,4,3,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2',3,3',4,4',5,5',6,6'-DECABROMOBIPHENYL",013654-09-6,26164,"1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene",C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br,InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,AQPHBYQUCKHJLT-UHFFFAOYSA-N,C12Br10,943.2,943.17313,10.5,0,326,0,0,0,1,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AROCLOR 1221,011104-28-2,16322,1-chloro-3-phenylbenzene,C1=CC=C(C=C1)C2=CC(=CC=C2)Cl,InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,NMWSKOLWZZWHPL-UHFFFAOYSA-N,C12H9Cl,188.65,188.039278,4.6,0,149,0,0,0,1,13,"286 °F (NTP, 1992)","527 to 608 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
AROCLOR 1248,012672-29-6,36400,"1,3-dichloro-5-(3,5-dichlorophenyl)benzene",C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H,UTMWFJSRHLYRPY-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.1,0,189,0,0,0,1,16,"286 °F (NTP, 1992)","644 to 707 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
AROCLOR 1232,011141-16-5,249266,1-chloro-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2Cl,InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,LAXBNTIAOJWAOP-UHFFFAOYSA-N,C12H9Cl,188.65,188.039278,4.5,0,149,0,0,0,1,13,"286 °F (NTP, 1992)","554 to 617 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
AROCLOR 1016,012674-11-2,38037,"1,3-dichloro-5-(3-chlorophenyl)benzene",C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,InChI=1S/C12H7Cl3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7H,RIBGNAJQTOXRDK-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.8,0,197,0,0,0,1,15,"286 °F (NTP, 1992)","725 to 788 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DECACHLOROBIPHENYL,002051-24-3,16318,"1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,ONXPZLFXDMAPRO-UHFFFAOYSA-N,C12Cl10,498.6,497.682627,8.3,0,326,0,0,0,1,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4,6-TRICHLOROBIPHENYL",035693-92-6,37247,"1,3,5-trichloro-2-phenylbenzene",C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H,MTLMVEWEYZFYTH-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.7,0,189,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',5-TRICHLOROBIPHENYL",037680-65-2,37803,"1,4-dichloro-2-(2-chlorophenyl)benzene",C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H,DCMURXAZTZQAFB-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.6,0,207,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4,4'-TRICHLOROBIPHENYL",007012-37-5,23448,"2,4-dichloro-1-(4-chlorophenyl)benzene",C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,BZTYNSQSZHARAZ-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.6,0,199,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,5'-TETRACHLOROBIPHENYL",041464-39-5,38875,"1,2-dichloro-3-(2,5-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl,InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H,ALDJIKXAHSDLLB-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,5.8,0,233,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',5,5'-TETRACHLOROBIPHENYL",035693-99-3,37248,"1,4-dichloro-2-(2,5-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,HCWZEPKLWVAEOV-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.1,0,209,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3',4,4'-TETRACHLOROBIPHENYL",032598-13-3,36187,"1,2-dichloro-4-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,UQMGJOKDKOLIDP-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.6,0,209,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4,5,5'-PENTACHLOROBIPHENYL",037680-73-2,37807,"1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H,LAHWLEDBADHJGA-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.5,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3',4,4',5-PENTACHLOROBIPHENYL",031508-00-6,35823,"1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H,IUTPYMGCWINGEY-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,7.1,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3',4,4',5-PENTACHLOROBIPHENYL",057465-28-8,63090,"1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H,REHONNLQRWTIFF-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,7.3,0,247,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4,4',5'-HEXACHLOROBIPHENYL",035065-28-2,37035,"1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene",C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H,RPUMZMSNLZHIGZ-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.2,0,286,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4,4',5,5'-HEXACHLOROBIPHENYL",035065-27-1,37034,"1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene",C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,MVWHGTYKUMDIHL-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.2,0,258,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,4',5-HEPTACHLOROBIPHENYL",035065-30-6,37037,"1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene",C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H,RMPWIIKNWPVWNG-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,7.9,0,312,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4,4',5,5'-HEPTACHLOROBIPHENYL",035065-29-3,37036,"1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene",C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H,WBHQEUPUMONIKF-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,7.9,0,312,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4',5,5',6-HEPTACHLOROBIPHENYL",052663-68-0,40475,"1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene",C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H,UDMZPLROONOSEF-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,7.5,0,298,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL",040186-72-9,38411,"1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,JFIMDKGRGPNPRQ-UHFFFAOYSA-N,C12HCl9,464.2,463.721599,8.8,0,351,0,0,0,1,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
4-CHLOROBIPHENYL,002051-62-9,16323,1-chloro-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)Cl,InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,FPWNLURCHDRMHC-UHFFFAOYSA-N,C12H9Cl,188.65,188.039278,4.6,0,141,0,0,0,1,13,,"556 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,5,5',6-HEXACHLOROBIPHENYL",052663-63-5,40471,"1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H,UHCLFIWDCYOTOL-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,6.8,0,272,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2'-DICHLOROBIPHENYL",013029-08-8,25622,1-chloro-2-(2-chlorophenyl)benzene,C1=CC=C(C(=C1)C2=CC=CC=C2Cl)Cl,InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,JAYCNKDKIKZTAF-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5,0,161,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3-DICHLOROBIPHENYL",016605-91-7,27959,"1,2-dichloro-3-phenylbenzene",C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H,XOMKZKJEJBZBJJ-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,4.8,0,175,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4-DICHLOROBIPHENYL",033284-50-3,36399,"2,4-dichloro-1-phenylbenzene",C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,WEJZHZJJXPXXMU-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.3,0,175,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,5-DICHLOROBIPHENYL",034883-39-1,36980,"1,4-dichloro-2-phenylbenzene",C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,KKQWHYGECTYFIA-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.2,0,175,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,6-DICHLOROBIPHENYL",033146-45-1,36342,"1,3-dichloro-2-phenylbenzene",C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl,InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H,IYZWUWBAFUBNCH-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5,0,165,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3'-DICHLOROBIPHENYL",002050-67-1,16307,1-chloro-3-(3-chlorophenyl)benzene,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,KTXUOWUHFLBZPW-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.2,0,161,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,4-DICHLOROBIPHENYL",002974-92-7,18102,"1,2-dichloro-4-phenylbenzene",C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H,ZGHQUYZPMWMLBM-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.3,0,175,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,5-DICHLOROBIPHENYL",034883-41-5,36981,"1,3-dichloro-5-phenylbenzene",C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H,QHZSDTDMQZPUKC-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,4.8,0,165,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"4,4'-DICHLOROBIPHENYL",002050-68-2,16308,1-chloro-4-(4-chlorophenyl)benzene,C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,YTBRNEUEFCNVHC-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.6,0,145,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3'-TRICHLOROBIPHENYL",038444-84-7,38034,"1,2-dichloro-3-(3-chlorophenyl)benzene",C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl,InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H,SXHLTVKPNQVZGL-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.6,0,207,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4,5-TRICHLOROBIPHENYL",015862-07-4,27514,"1,2,4-trichloro-5-phenylbenzene",C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H,VGVIKVCCUATMNG-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.9,0,201,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4',5-TRICHLOROBIPHENYL",016606-02-3,27960,"1,4-dichloro-2-(4-chlorophenyl)benzene",C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,VAHKBZSAUKPEOV-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.8,0,199,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2',3,4-TRICHLOROBIPHENYL",038444-86-9,38036,"1,2-dichloro-4-(2-chlorophenyl)benzene",C1=CC=C(C(=C1)C2=CC(=C(C=C2)Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-10-4-2-1-3-9(10)8-5-6-11(14)12(15)7-8/h1-7H,RIMXLXBUOQMDHV-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.9,0,207,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3',4-TRICHLOROBIPHENYL",037680-69-6,37806,"1,2-dichloro-4-(3-chlorophenyl)benzene",C1=CC(=CC(=C1)Cl)C2=CC(=C(C=C2)Cl)Cl,InChI=1S/C12H7Cl3/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,JHBVPKZLIBDTJR-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.9,0,207,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,5,6,6'-OCTACHLOROBIPHENYL",052663-73-7,40480,"1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene",C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H,HHXNVASVVVNNDG-UHFFFAOYSA-N,C12H2Cl8,429.8,429.760571,8.4,0,323,0,0,0,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,4',5,5'-OCTACHLOROBIPHENYL",035694-08-7,37251,"1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,DTMRKGRREZAYAP-UHFFFAOYSA-N,C12H2Cl8,429.8,429.760571,8.6,0,307,0,0,0,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3',4,4',5,5'-HEXACHLOROBIPHENYL",052663-72-6,40479,"1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene",C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H,AZXHAWRMEPZSSV-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.5,0,274,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,3',4,4',5,5'-HEXACHLOROBIPHENYL",032774-16-6,36231,"1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene",C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,ZHLICBPIXDOFFG-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.4,0,234,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL",052663-71-5,40478,"1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene",C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H,TZMHVHLTPWKZCI-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,7.4,0,312,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3',4,4',5,5'-HEPTACHLOROBIPHENYL",039635-31-9,38306,"1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene",C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H,XUAWBXBYHDRROL-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,8.1,0,300,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3',4',6-PENTACHLOROBIPHENYL",038380-03-9,38015,"1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H,ARXHIJMGSIYYRZ-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.6,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,4,4',5-TETRACHLOROBIPHENYL",070362-50-4,51043,"1,2,3-trichloro-5-(4-chlorophenyl)benzene",C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H,BHWVLZJTVIYLIV-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.6,0,213,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3',4,4',5'-HEXACHLOROBIPHENYL",069782-90-7,50891,"1,2,3-trichloro-4-(3,4,5-trichlorophenyl)benzene",C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H,YTWXDQVNPCIEOX-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.6,0,274,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3'-TETRACHLOROBIPHENYL",038444-93-8,38040,"1,2-dichloro-3-(2,3-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC=C2)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H,VTLYHLREPCPDKX-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.2,0,209,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4,4'-TETRACHLOROBIPHENYL",002437-79-8,17097,"2,4-dichloro-1-(2,4-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,QORAVNMWUNPXAO-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.3,0,209,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3',4,4',5-HEXACHLOROBIPHENYL",038380-08-4,38019,"1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H,LCXMEXLGMKFLQO-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.6,0,286,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,4,4',5-PENTACHLOROBIPHENYL",074472-37-0,53036,"1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene",C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H,SXZSFWHOSHAKMN-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,7,0,251,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4,4',6,6'-HEXACHLOROBIPHENYL",033979-03-2,36647,"1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene",C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H,ICOAEPDGFWLUTI-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.3,0,234,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4,4',5,6'-HEXACHLOROBIPHENYL",060145-22-4,63082,"1,2,4-trichloro-5-(2,4,6-trichlorophenyl)benzene",C1=C(C=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-5-1-10(17)12(11(18)2-5)6-3-8(15)9(16)4-7(6)14/h1-4H,QXZHEJWDLVUFFB-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,6.9,0,274,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3',4,5-PENTACHLOROBIPHENYL",041464-51-1,38881,"1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H,JTUSORDQZVOEAZ-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.7,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',6,6'-TETRACHLOROBIPHENYL",015968-05-5,27588,"1,3-dichloro-2-(2,6-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)C2=C(C=CC=C2Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H,PXAGFNRKXSYIHU-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,5.9,0,189,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4',5',6-HEXACHLOROBIPHENYL",038380-04-0,38016,"1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene",C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H,LKHLFUVHHXCNJH-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.1,0,286,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2',3,4,4',5-PENTACHLOROBIPHENYL",065510-44-3,47650,"1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H,YAHNWSSFXMVPOU-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.9,0,247,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',6,6'-HEXACHLOROBIPHENYL",038411-22-2,38024,"1,2,4-trichloro-3-(2,3,6-trichlorophenyl)benzene",C1=CC(=C(C(=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H,FZFUUSROAHKTTF-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.1,0,258,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4,4',5-HEXACHLOROBIPHENYL",035694-06-5,37250,"1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H,CKLLRBPBZLTGDJ-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.4,0,286,0,0,0,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3',4',5-TETRACHLOROBIPHENYL",032598-11-1,36186,"1,2-dichloro-4-(2,5-dichlorophenyl)benzene",C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H,KENZYIHFBRWMOD-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.2,0,233,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4',6-TRICHLOROBIPHENYL",038444-77-8,38031,"1,3-dichloro-2-(4-chlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7H,IHIDFKLAWYPTKB-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.7,0,189,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,3',4'-TETRACHLOROBIPHENYL",041464-43-1,38879,"1,2-dichloro-3-(3,4-dichlorophenyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl,InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H,UNCGJRRROFURDV-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6,0,233,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3,4',5-TETRACHLOROBIPHENYL",074472-34-7,53035,"1,2,5-trichloro-3-(4-chlorophenyl)benzene",C1=CC(=CC=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)10-5-9(14)6-11(15)12(10)16/h1-6H,CITMYAMXIZQCJD-UHFFFAOYSA-N,C12H6Cl4,292,291.919411,6.2,0,225,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4,4'-PENTACHLOROBIPHENYL",065510-45-4,47651,"1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H,LACXVZHAJMVESG-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.6,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,4',6-PENTACHLOROBIPHENYL",068194-05-8,50099,"1,2,4-trichloro-3-(2,4-dichlorophenyl)benzene",C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl,InChI=1S/C12H5Cl5/c13-6-1-2-7(10(16)5-6)11-8(14)3-4-9(15)12(11)17/h1-5H,CXKIGWXPPVZSQK-UHFFFAOYSA-N,C12H5Cl5,326.4,325.880439,6.3,0,259,0,0,0,1,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL",038411-25-5,38025,"1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene",C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H,ZDLMBNHYTPHDLF-UHFFFAOYSA-N,C12H3Cl7,395.3,393.802494,7.5,0,312,0,0,0,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2',4-TRICHLOROBIPHENYL",037860-66-3,37804,"2,4-dichloro-1-(2-chlorophenyl)benzene",C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl,InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H,YKKYCYQDUUXNLN-UHFFFAOYSA-N,C12H7Cl3,257.5,255.961333,5.8,0,207,0,0,0,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
AROCLOR 1260,011096-82-5,38018,"1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene",C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H,BTAGRXWGMYTPBY-UHFFFAOYSA-N,C12H4Cl6,360.9,359.841466,7.3,0,258,0,0,0,1,18,"286 °F (NTP, 1992)","725 to 788 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4'-DICHLOROBIPHENYL",034883-43-7,36982,1-chloro-2-(4-chlorophenyl)benzene,C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,UFNIBRDIUNVOMX-UHFFFAOYSA-N,C12H8Cl2,223.09,222.0003056,5.1,0,173,0,0,0,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BIPHENYL-3,3',5,5'-TETRACARBOXYLIC ACID",004371-28-2,15840397,"5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)C(=O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)O,"InChI=1S/C16H10O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",QURGMSIQFRADOZ-UHFFFAOYSA-N,C16H10O8,330.24,330.0375673,1.7,149,450,0,4,8,5,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-ETHYLBIPHENYL,005707-44-8,79786,1-ethyl-4-phenylbenzene,CCC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3",SRQOBNUBCLPPPH-UHFFFAOYSA-N,C14H14,182.26,182.1095504,5.1,0,147,0,0,0,2,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-VINYLBIPHENYL,002350-89-2,16883,1-ethenyl-4-phenylbenzene,C=CC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2",HDBWAWNLGGMZRQ-UHFFFAOYSA-N,C14H12,180.24,180.0939004,5,0,168,0,0,0,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4' BIS(TRIETHOXYSILYL) BIPHENYL",123640-93-7,14951443,triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane,CCO[Si](C1=CC=C(C=C1)C2=CC=C(C=C2)[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C24H38O6Si2/c1-7-25-31(26-8-2,27-9-3)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32(28-10-4,29-11-5)30-12-6/h13-20H,7-12H2,1-6H3",KENDGHJJHKCUNB-UHFFFAOYSA-N,C24H38O6Si2,478.7,478.220692,,55.4,415,0,0,6,15,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIISOPROPYL BIPHENYL,029225-91-0,3034466,"1-phenyl-2,3,4-tri(propan-2-yl)benzene",CC(C)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(C)C)C(C)C,"InChI=1S/C21H28/c1-14(2)18-12-13-19(17-10-8-7-9-11-17)21(16(5)6)20(18)15(3)4/h7-16H,1-6H3",YYKBFGMYHQMXIL-UHFFFAOYSA-N,C21H28,280.4,280.2191009,6.9,0,295,0,0,0,4,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"[1,1'-Biphenyl]-4,4'-diamine, 2,2'-dimethyl-",84-67-3,66537,4-(4-amino-2-methylphenyl)-3-methylaniline,CC1=C(C=CC(=C1)N)C2=C(C=C(C=C2)N)C,"InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3",QYIMZXITLDTULQ-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,2.9,52,205,0,2,2,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4,4'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-",128-38-1,67185,"2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3",GSOYMOAPJZYXTB-UHFFFAOYSA-N,C28H42O2,410.6,410.3184806,9.5,40.5,465,0,2,2,5,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-2,4-diol",134-52-1,11019578,"4-phenylbenzene-1,3-diol",C1=CC=C(C=C1)C2=C(C=C(C=C2)O)O,"InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H",LYXCJGJSIWFKHZ-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,2.7,40.5,175,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Biphenylamine, 4'-chloro-",135-68-2,8675,4-(4-chlorophenyl)aniline,C1=CC(=CC=C1C2=CC=C(C=C2)Cl)N,"InChI=1S/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2",OREQWMWYRYXCDF-UHFFFAOYSA-N,C12H10ClN,203.67,203.050177,4.3,26,167,0,1,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Salicylic acid, 3-phenyl-",304-06-3,9348,2-hydroxy-3-phenylbenzoic acid,C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O,"InChI=1S/C13H10O3/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8,14H,(H,15,16)",ZJWUEJOPKFYFQD-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,4.1,57.5,246,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Biphenyl, 4-fluoro-",324-74-3,9461,1-fluoro-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)F,InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,RUYZJEIKQYLEGZ-UHFFFAOYSA-N,C12H9F,172.2,172.0688284,4.1,0,141,0,0,1,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Biphenylamine, 4'-fluoro-",324-93-6,9462,4-(4-fluorophenyl)aniline,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,"InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2",HTRVALPKPVGOSZ-UHFFFAOYSA-N,C12H10FN,187.21,187.0797275,2.1,26,167,0,1,2,1,14,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-amine, 3'-(trifluoromethyl)-",397-28-4,2760739,4-[3-(trifluoromethyl)phenyl]aniline,C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)N,"InChI=1S/C13H10F3N/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(17)7-5-9/h1-8H,17H2",XREKLJQACWAWSV-UHFFFAOYSA-N,C13H10F3N,237.22,237.0765338,3.7,26,244,0,1,4,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzidine, 3,3'-difluoro-",448-97-5,196976,4-(4-amino-3-fluorophenyl)-2-fluoroaniline,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)F)F)N,"InChI=1S/C12H10F2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2",LVNPGQZSPDFZNC-UHFFFAOYSA-N,C12H10F2N2,220.22,220.0812047,2.5,52,213,0,2,4,1,16,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-2,2-'-diol, 5,5'-di-2-propenyl-",528-43-8,72300,2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol,C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O,"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2",VVOAZFWZEDHOOU-UHFFFAOYSA-N,C18H18O2,266.3,266.1306798,5,40.5,293,0,2,2,5,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Benzidine sulfate,531-86-2,88797,4-(4-aminophenyl)aniline;sulfuric acid,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.OS(=O)(=O)O,"InChI=1S/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)",ZOXJIQNURSAHRV-UHFFFAOYSA-N,C12H14N2O4S,282.32,282.0674281,,135,226,0,4,6,1,19,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Biphenylol, 5-tert-butyl-",577-92-4,11351,4-tert-butyl-2-phenylphenol,CC(C)(C)C1=CC(=C(C=C1)O)C2=CC=CC=C2,"InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3",IYPYKRAEQZVXSC-UHFFFAOYSA-N,C16H18O,226.31,226.1357652,4.8,20.2,234,0,1,1,2,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Biphenyl, 2,4'-dinitro-",606-81-5,11825,1-nitro-2-(4-nitrophenyl)benzene,C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H8N2O4/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H,IZNVUHOCXBQQHM-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,3.5,91.6,315,0,0,4,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-Biphenylcarboxylic acid,716-76-7,12854,3-phenylbenzoic acid,C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O,"InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)",XNLWJFYYOIRPIO-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.5,37.3,219,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Biphenyldiol",1079-21-6,14116,"2-phenylbenzene-1,4-diol",C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O,"InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H",XCZKKZXWDBOGPA-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,3.2,40.5,175,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-ol, 3-amino-",1134-36-7,14562,2-amino-4-phenylphenol,C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N,"InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2",IGIDZGNPFWGICD-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.4,46.3,177,0,2,2,1,14,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-2-carboxaldehyde",1203-68-5,121052,2-phenylbenzaldehyde,C1=CC=C(C=C1)C2=CC=CC=C2C=O,InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,LCRCBXLHWTVPEQ-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.4,17.1,182,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-3-carboxaldehyde",1204-60-0,121053,3-phenylbenzaldehyde,C1=CC=C(C=C1)C2=CC=CC(=C2)C=O,InChI=1S/C13H10O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-10H,KFKSIUOALVIACE-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.4,17.1,182,0,0,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Biphenylamine, 4'-methyl-",1204-78-0,14564,4-(4-methylphenyl)aniline,CC1=CC=C(C=C1)C2=CC=C(C=C2)N,"InChI=1S/C13H13N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,14H2,1H3",NQVLOHKMEASTMW-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.2,26,162,0,1,1,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Biphenylol, 4'-amino-",1204-79-1,14565,4-(4-aminophenyl)phenol,C1=CC(=CC=C1C2=CC=C(C=C2)O)N,"InChI=1S/C12H11NO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H,13H2",LQZZZAFQKXTFKH-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,1.7,46.3,167,0,2,2,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Diphenaldehyde,1210-05-5,14585,2-(2-formylphenyl)benzaldehyde,C1=CC=C(C(=C1)C=O)C2=CC=CC=C2C=O,InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H,HJFGULDHUDIPDA-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,2.6,34.1,223,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-Biphenyldiamine",1454-80-4,15075,2-(2-aminophenyl)aniline,C1=CC=C(C(=C1)C2=CC=CC=C2N)N,"InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2",HOLGXWDGCVTMTB-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.4,52,161,0,2,2,1,14,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Biphenyl-3-sulfonic acid, 4,4'-diamino-",2051-89-0,16326,2-amino-5-(4-aminophenyl)benzenesulfonic acid,C1=CC(=CC=C1C2=CC(=C(C=C2)N)S(=O)(=O)O)N,"InChI=1S/C12H12N2O3S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)18(15,16)17/h1-7H,13-14H2,(H,15,16,17)",FGQDYDZVRHQDIN-UHFFFAOYSA-N,C12H12N2O3S,264.3,264.0568634,1.5,115,371,0,3,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1'-Biphenyl, 2-iodo-",2113-51-1,75025,1-iodo-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2I,InChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,QFUYDAGNUJWBSM-UHFFFAOYSA-N,C12H9I,280.1,279.9749,4.2,0,149,0,0,0,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Biphenylamine,2243-47-2,16717,3-phenylaniline,C1=CC=C(C=C1)C2=CC(=CC=C2)N,"InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2",MUNOBADFTHUUFG-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,3.3,26,149,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzidine, 2-nitro-",2243-78-9,3422743,4-(4-aminophenyl)-3-nitroaniline,C1=CC(=CC=C1C2=C(C=C(C=C2)N)[N+](=O)[O-])N,"InChI=1S/C12H11N3O2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7H,13-14H2",YYNCOERMULFLJD-UHFFFAOYSA-N,C12H11N3O2,229.23,229.0851266,2,97.9,271,0,2,4,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-(p-aminophenyl)-",3366-61-8,18787,N-[4-(4-aminophenyl)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N,"InChI=1S/C14H14N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,15H2,1H3,(H,16,17)",DZQXBXZZSKPMDV-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,1.7,55.1,251,0,2,2,2,17,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-phenyl-",4075-79-0,19998,N-(4-phenylphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C14H13NO/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)",SVLDILRDQOVJED-UHFFFAOYSA-N,C14H13NO,211.26,211.099714,3,29.1,225,0,1,1,2,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biphenyl, 3,3',4,4'-tetramethyl-",4920-95-0,21029,"4-(3,4-dimethylphenyl)-1,2-dimethylbenzene",CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C)C)C,"InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3",YXBIAYXZUDJVEB-UHFFFAOYSA-N,C16H18,210.31,210.1408506,5,0,196,0,0,0,1,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(4-biphenylyloxy)-",5555-13-5,101181,2-(4-phenylphenoxy)propanoic acid,CC(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)",FUPGQEMJIGUBGO-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,3.3,46.5,263,0,1,3,4,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4-amine, 4'-ethyl-",5728-70-1,21831845,4-(4-ethylphenyl)aniline,CCC1=CC=C(C=C1)C2=CC=C(C=C2)N,"InChI=1S/C14H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2,15H2,1H3",NMCSKBJWADPKPK-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,3.6,26,174,0,1,1,2,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzidine, 3,3'-dinitro-",6271-79-0,3106720,4-(4-amino-3-nitrophenyl)-2-nitroaniline,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N,"InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2",OCEINMLGYDSKFW-UHFFFAOYSA-N,C12H10N4O4,274.23,274.0702048,3,144,345,0,2,6,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Biphenyl, 3,4'-dinitro-",6311-43-9,22764,1-nitro-3-(4-nitrophenyl)benzene,C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H8N2O4/c15-13(16)11-6-4-9(5-7-11)10-2-1-3-12(8-10)14(17)18/h1-8H,LTPDHLOPQDBSOL-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,3.7,91.6,315,0,0,4,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-amine, 4'-iodo-",7285-77-0,101401,4-(4-iodophenyl)aniline,C1=CC(=CC=C1C2=CC=C(C=C2)I)N,"InChI=1S/C12H10IN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2",MSHUACKEOWOIGP-UHFFFAOYSA-N,C12H10IN,295.12,294.9858,4,26,167,0,1,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4,4'-diol, 3,3',5,5'-tetrachloro-",13049-13-3,97032,"2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol",C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl,"InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H",YCYDXOVJXVALHY-UHFFFAOYSA-N,C12H6Cl4O2,324,323.90924,5.4,40.5,239,0,2,2,1,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-2-ol, potassium salt",13707-65-8,23686122,potassium 2-phenylphenolate,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[K+],"InChI=1S/C12H10O.K/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1",HSDKCIYHTPCVAU-UHFFFAOYSA-M,C12H9KO,208.3,208.0290464,,23.1,154,0,0,1,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzidine, 2,2',5,5'-tetrachloro-",15721-02-5,27465,"4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline",C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,"InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2",UXOXUHMFQZEAFR-UHFFFAOYSA-N,C12H8Cl4N2,322,321.941209,4.5,52,263,0,2,2,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-Biphenylethylamine, hydrochloride",17027-69-9,54611699,2-(4-phenylphenyl)ethanamine;hydrochloride,C1=CC=C(C=C1)C2=CC=C(C=C2)CCN.Cl,"InChI=1S/C14H15N.ClH/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H",ITWAKNWMCINLDZ-UHFFFAOYSA-N,C14H16ClN,233.73,233.0971272,,26,164,0,2,1,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Biphenylethylamine, alpha-methyl-, hydrochloride, dl-",23734-64-7,32055,1-(4-phenylphenyl)propan-2-ylazanium chloride,CC(CC1=CC=C(C=C1)C2=CC=CC=C2)[NH3+].[Cl-],"InChI=1S/C15H17N.ClH/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;/h2-10,12H,11,16H2,1H3;1H",KCFXOYGMMYOKSP-UHFFFAOYSA-N,C15H18ClN,247.76,247.1127773,,27.6,188,0,1,1,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Biphenylacetic acid,23948-77-8,32153,2-(3-phenylphenyl)acetic acid,C1=CC=C(C=C1)C2=CC=CC(=C2)CC(=O)O,"InChI=1S/C14H12O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)",VLQLJPWPRYUYMK-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.2,37.3,231,0,1,2,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4-ol, 4'-chloro-",28034-99-3,91589,4-(4-chlorophenyl)phenol,C1=CC(=CC=C1C2=CC=C(C=C2)Cl)O,"InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H",ICVFJPSNAUMFCW-UHFFFAOYSA-N,C12H9ClO,204.65,204.0341926,4.6,20.2,167,0,1,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Biphenylamine, 3'-nitro-",31835-64-0,35944,3-(3-nitrophenyl)aniline,C1=CC(=CC(=C1)N)C2=CC(=CC=C2)[N+](=O)[O-],"InChI=1S/C12H10N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H,13H2",MFOBJFPOQKSSKE-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,3.2,71.8,252,0,1,3,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4'-Biphenyldiamine",32316-90-8,36104,3-(4-aminophenyl)aniline,C1=CC(=CC(=C1)N)C2=CC=C(C=C2)N,"InChI=1S/C12H12N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,13-14H2",QSPMTSAELLSLOQ-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.2,52,173,0,2,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-2,4'-diol, 3',5-di(2-propenyl)-",35354-74-6,72303,2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol,C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2",FVYXIJYOAGAUQK-UHFFFAOYSA-N,C18H18O2,266.3,266.1306798,5,40.5,325,0,2,2,5,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-butanoic acid, gamma-oxo-",36330-85-5,3335,4-oxo-4-(4-phenylphenyl)butanoic acid,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",ZPAKPRAICRBAOD-UHFFFAOYSA-N,C16H14O3,254.28,254.0942943,3.2,54.4,310,0,1,3,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propiophenone, 4'-phenyl-",37940-57-1,95230,1-(4-phenylphenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C15H14O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3",JMBGDQSXJHLFTO-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,4.2,17.1,220,0,0,1,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-",41424-11-7,162465,4-(4-hexoxyphenyl)benzonitrile,CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3",YUYXUPYNSOFWFV-UHFFFAOYSA-N,C19H21NO,279.4,279.1623143,5.6,33,316,0,0,2,7,21,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-(pentyloxy)-",52364-71-3,104171,4-(4-pentoxyphenyl)benzonitrile,CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3",RDISTOCQRJJICR-UHFFFAOYSA-N,C18H19NO,265.3,265.1466642,5,33,303,0,0,2,6,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-",52364-72-4,104172,4-(4-heptoxyphenyl)benzonitrile,CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3",JPBFKTCKZLMJED-UHFFFAOYSA-N,C20H23NO,293.4,293.1779644,6.1,33,329,0,0,2,8,22,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-(octyloxy)-",52364-73-5,104173,4-(4-octoxyphenyl)benzonitrile,CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3",GPGGNNIMKOVSAG-UHFFFAOYSA-N,C21H25NO,307.4,307.1936144,6.7,33,342,0,0,2,9,23,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-",52709-86-1,104291,4-(4-propoxyphenyl)benzonitrile,CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3",RZCQJZFWJZHMPK-UHFFFAOYSA-N,C16H15NO,237.3,237.1153641,4.1,33,277,0,0,2,4,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-",52709-87-2,104292,4-(4-butoxyphenyl)benzonitrile,CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3",KPQVQWUNELODQE-UHFFFAOYSA-N,C17H17NO,251.32,251.1310142,4.5,33,290,0,0,2,5,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanoic acid, 4,4'-((4,4'-diamino-(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bis-, dihydrochloride",56455-90-4,41881,4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl,"InChI=1S/C20H24N2O6.2ClH/c21-15-7-5-13(11-17(15)27-9-1-3-19(23)24)14-6-8-16(22)18(12-14)28-10-2-4-20(25)26;;/h5-8,11-12H,1-4,9-10,21-22H2,(H,23,24)(H,25,26);2*1H",BABQSVIBQAEEQX-UHFFFAOYSA-N,C20H26Cl2N2O6,461.3,460.1167919,,145,459,0,6,8,11,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, sodium salt",56767-76-1,23684814,sodium 2-(3-fluoro-4-phenylphenyl)propanoate,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)[O-].[Na+],"InChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1",AUAGTGKMTMVIKN-UHFFFAOYSA-M,C15H12FNaO2,266.24,266.0719021,,40.1,292,0,0,3,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4-amine, 3'-methyl-",57964-45-1,2759825,4-(3-methylphenyl)aniline,CC1=CC(=CC=C1)C2=CC=C(C=C2)N,"InChI=1S/C13H13N/c1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11/h2-9H,14H2,1H3",GFBVVPBMYMZYGY-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.2,26,170,0,1,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-2,5-diol, diacetate",58244-28-3,94584,(4-acetyloxy-3-phenylphenyl) acetate,CC(=O)OC1=CC(=C(C=C1)OC(=O)C)C2=CC=CC=C2,"InChI=1S/C16H14O4/c1-11(17)19-14-8-9-16(20-12(2)18)15(10-14)13-6-4-3-5-7-13/h3-10H,1-2H3",DZVDHXPXHBVBNZ-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.1,52.6,346,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carbonitrile, 4'-methoxy-",58743-77-4,93892,4-(4-methoxyphenyl)benzonitrile,COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N,"InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3",RINYLKSNGRLNCU-UHFFFAOYSA-N,C14H11NO,209.24,209.084064,3.2,33,251,0,0,2,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-carboxylic acid, 4'-octyl-",59662-49-6,1714884,4-(4-octylphenyl)benzoic acid,CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)",HXBKPYIEQLLNBK-UHFFFAOYSA-N,C21H26O2,310.4,310.1932801,7.8,37.3,323,0,1,2,9,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-3-methanol, 2-methyl-",76350-90-8,596875,(2-methyl-3-phenylphenyl)methanol,CC1=C(C=CC=C1C2=CC=CC=C2)CO,"InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3",BGTLHJPGBIVQLJ-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3,20.2,184,0,1,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-3-amine, 4-methyl-",80938-67-6,149880,2-methyl-5-phenylaniline,CC1=C(C=C(C=C1)C2=CC=CC=C2)N,"InChI=1S/C13H13N/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3",YLKSTPDTTKOSIL-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.1,26,172,0,1,1,1,14,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N,N'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis-",83310-76-3,54986,N-[4-(4-acetamido-3-methoxyphenyl)-2-methoxyphenyl]acetamide,CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)OC)OC,"InChI=1S/C18H20N2O4/c1-11(21)19-15-7-5-13(9-17(15)23-3)14-6-8-16(20-12(2)22)18(10-14)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)",NIYPWEHXGKGWAE-UHFFFAOYSA-N,C18H20N2O4,328.4,328.1423071,1.8,76.7,403,0,2,4,5,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, 1-(acetyloxy)ethyl ester",91503-79-6,3395,1-acetyloxyethyl 2-(3-fluoro-4-phenylphenyl)propanoate,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)OC(=O)C,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3",ALIVXCSEERJYHU-UHFFFAOYSA-N,C19H19FO4,330.3,330.1267373,4.9,52.6,433,0,0,5,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-3-propanoic acid, alpha-amino-2'-chloro-5-(phosphonomethyl)-, (alpha-S)-",174575-17-8,128019,(2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid,C1=CC=C(C(=C1)C2=CC(=CC(=C2)CP(=O)(O)O)C[C@@H](C(=O)O)N)Cl,"InChI=1S/C16H17ClNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1",VBRJFXSFCYEZMQ-HNNXBMFYSA-N,C16H17ClNO5P,369.73,369.0532873,-1.2,121,485,0,4,6,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-4-butanoic acid, 4'-fluoro-alpha-methyl-gamma-oxo-",,24835772,4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid,CC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)F)C(=O)O,"InChI=1S/C17H15FO3/c1-11(17(20)21)10-16(19)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,20,21)",NOZRJRKRYZIYSD-UHFFFAOYSA-N,C17H15FO3,286.3,286.1005225,3.5,54.4,366,0,1,4,5,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMODIPHENYLMETHANE,000776-74-9,236603,[bromo(phenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)Br,"InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",OQROAIRCEOBYJA-UHFFFAOYSA-N,C13H11Br,247.13,246.00441,4.1,0,137,0,0,0,2,14,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1
METHADONE,000076-99-3,4095,"6-(dimethylamino)-4,4-diphenylheptan-3-one",CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",USSIQXCVUWKGNF-UHFFFAOYSA-N,C21H27NO,309.4,309.2092645,3.9,20.3,346,0,0,2,7,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
METHADONE INTERMEDIATE (METHADONE PRECURSOR),000125-79-1,31331,"4-(dimethylamino)-2,2-diphenylpentanenitrile",CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C,"InChI=1S/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3",GJJQIGFCGLPOQK-UHFFFAOYSA-N,C19H22N2,278.4,278.1782987,3.9,27,335,0,0,2,5,21,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), hydrochloride, (",043033-72-3,39371,"[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride",CC[C@@H](C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,"InChI=1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1",UXBPQRGCVJOTNT-COBSGTNCSA-N,C23H32ClNO2,390,389.212157,,29.5,404,0,1,3,9,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride",001095-90-5,14184,"6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride",CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H",FJQXCDYVZAHXNS-UHFFFAOYSA-N,C21H28ClNO,345.9,345.1859422,,20.3,346,0,1,2,7,24,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0
"2,2-BIS(4-CHLOROPHENYL)-1,1-DICHLOROETHANE",000072-54-8,6294,"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,"InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H",AHJKRLASYNVKDZ-UHFFFAOYSA-N,C14H10Cl4,320,319.950711,6.2,0,218,0,0,0,3,18,,"379 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-(4-CHLOROBENZENE)-2-(2-CHLOROBENZENE)-1,1,1-TRICHLOROETHANE",000789-02-6,13089,"1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,"InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H",CVUGPAFCQJIYDT-UHFFFAOYSA-N,C14H9Cl5,354.5,353.911739,6.7,0,280,0,0,0,2,19,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2-BIS(4-ISOCYANATOPHENYL)HEXAFLUOROPROPANE",010224-18-7,2736044,"1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=O)(C(F)(F)F)C(F)(F)F)N=C=O,"InChI=1S/C17H8F6N2O2/c18-16(19,20)15(17(21,22)23,11-1-5-13(6-2-11)24-9-26)12-3-7-14(8-4-12)25-10-27/h1-8H",QIPLQPPNURSGKC-UHFFFAOYSA-N,C17H8F6N2O2,386.25,386.0489965,7.5,58.9,550,0,0,10,4,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 2-(DIETHYLAMINO)ETHYL EST",000057-37-4,66448,"2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride",CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl,"InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H",ZCEHOOLYWQBGQO-UHFFFAOYSA-N,C20H26ClNO3,363.9,363.1601214,,49.8,351,0,2,4,9,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETONITRILE, .ALPHA.-PHENYL-",000086-29-3,6837,"2,2-diphenylacetonitrile",C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,"InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H",NEBPTMCRLHKPOB-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.2,23.8,207,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, L-",000125-58-6,22267,"(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one",CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1",USSIQXCVUWKGNF-QGZVFWFLSA-N,C21H27NO,309.4,309.2092645,3.9,20.3,346,0,0,2,7,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-, hydrochloride",000341-69-5,9568,"N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride",CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.Cl,"InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H",UQZKYYIKWZOKKD-UHFFFAOYSA-N,C18H24ClNO,305.8,305.1546421,,12.5,260,0,1,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-[(4-AMINOPHENYL)METHYL]-",001208-52-2,14580,2-[(4-aminophenyl)methyl]aniline,C1=CC=C(C(=C1)CC2=CC=C(C=C2)N)N,"InChI=1S/C13H14N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8H,9,14-15H2",UTNMPUFESIRPQP-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,2.2,52,185,0,2,2,2,15,,"432 °F at 9 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,1,1,1
"CARBONOCHLORIDIC ACID, (1-METHYLETHYLIDENE)DI-4,1-PHENYLENE ESTER",002024-88-6,74843,[4-[2-(4-carbonochloridoyloxyphenyl)propan-2-yl]phenyl] carbonochloridate,CC(C)(C1=CC=C(C=C1)OC(=O)Cl)C2=CC=C(C=C2)OC(=O)Cl,"InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3",MMWCQWOKHLEYSP-UHFFFAOYSA-N,C17H14Cl2O4,353.2,352.0269143,6.3,52.6,384,0,0,4,6,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DDE,003547-04-4,19076,1-chloro-4-[1-(4-chlorophenyl)ethyl]benzene,CC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl,"InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3",KTEARTXATWOYDB-UHFFFAOYSA-N,C14H12Cl2,251.1,250.0316058,5.6,0,179,0,0,0,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (S)-",005653-80-5,643985,"(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one",CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1",USSIQXCVUWKGNF-KRWDZBQOSA-N,C21H27NO,309.4,309.2092645,3.9,20.3,346,0,0,2,7,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"BENZENEACETIC ACID, .ALPHA.-(2,4-DINITROPHENYL)-2,4-DINITRO-, ETHYLESTER",005833-18-1,22085,"ethyl 2,2-bis(2,4-dinitrophenyl)acetate",CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3",CMVIALRRHVVWIW-UHFFFAOYSA-N,C16H12N4O10,420.29,420.0553426,3.1,210,644,0,0,10,5,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXACHLOROPHENE,000070-30-4,3598,"3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol",C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",ACGUYXCXAPNIKK-UHFFFAOYSA-N,C13H6Cl6O2,406.9,405.846945,7.5,40.5,328,0,2,2,2,21,115 °F (Tag closed cup) /Isobac/,166.5 °C,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DDT,000050-29-3,3036,"1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YVGGHNCTFXOJCH-UHFFFAOYSA-N,C14H9Cl5,354.5,353.911739,6.9,0,250,0,0,0,2,19,"324 to 340 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIPHENYLACETIC ACID,000117-34-0,8333,"2,2-diphenylacetic acid",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O,"InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)",PYHXGXCGESYPCW-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.1,37.3,207,0,1,2,3,16,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYANIC ACID, ETHYLIDENEDI-4,1-PHENYLENE ESTER",047073-92-7,93247,[4-[1-(4-cyanatophenyl)ethyl]phenyl] cyanate,CC(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N,"InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3",SIZDMAYTWUINIG-UHFFFAOYSA-N,C16H12N2O2,264.28,264.0898776,4.6,66,351,0,0,4,4,20,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 4-(1-METHYL-1-PHENYLETHYL)-",000599-64-4,11742,4-(2-phenylpropan-2-yl)phenol,CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O,"InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3",QBDSZLJBMIMQRS-UHFFFAOYSA-N,C15H16O,212.29,212.1201151,3.7,20.2,207,0,1,1,2,16,,335 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
4-CHLOROBENZHYDROL,000119-56-2,8401,(4-chlorophenyl)-phenylmethanol,C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O,"InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H",AJYOOHCNOXWTKJ-UHFFFAOYSA-N,C13H11ClO,218.68,218.0498427,3.3,20.2,181,0,1,1,2,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS(2,6-DIETHYLANILINE)",013680-35-8,83656,"4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline",CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC,"InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3",NWIVYGKSHSJHEF-UHFFFAOYSA-N,C21H30N2,310.5,310.240899,5.7,52,283,0,2,2,6,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZILIC ACID,000076-93-7,6463,"2-hydroxy-2,2-diphenylacetic acid",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O,"InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)",UKXSKSHDVLQNKG-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,2.3,57.5,245,0,2,3,3,17,,180 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENHYDRAMINE HYDROCHLORIDE,000147-24-0,8980,"2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride",CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H",PCHPORCSPXIHLZ-UHFFFAOYSA-N,C17H22ClNO,291.8,291.138992,,12.5,211,0,1,2,6,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIPHENYL-1-PROPANOL",020017-67-8,29908,"3,3-diphenylpropan-1-ol",C1=CC=C(C=C1)C(CCO)C2=CC=CC=C2,"InChI=1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",IDCXQMVSIIJUEH-UHFFFAOYSA-N,C15H16O,212.29,212.1201151,3.3,20.2,160,0,1,1,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS-(DIISOPROPYLANILINE)",019900-69-7,88307,"4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline",CC(C)C1=CC(=CC(=C1N)C(C)C)CC2=CC(=C(C(=C2)C(C)C)N)C(C)C,"InChI=1S/C25H38N2/c1-14(2)20-10-18(11-21(15(3)4)24(20)26)9-19-12-22(16(5)6)25(27)23(13-19)17(7)8/h10-17H,9,26-27H2,1-8H3",KZTROCYBPMKGAW-UHFFFAOYSA-N,C25H38N2,366.6,366.3034992,7,52,366,0,2,2,6,27,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
AMINODIPHENYLMETHANE,000091-00-9,7036,diphenylmethanamine,C1=CC=C(C=C1)C(C2=CC=CC=C2)N,"InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2",MGHPNCMVUAKAIE-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,2.4,26,137,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIAMINODIPHENYLMETHANE",019471-12-6,146486,3-[(3-aminophenyl)methyl]aniline,C1=CC(=CC(=C1)N)CC2=CC(=CC=C2)N,"InChI=1S/C13H14N2/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11/h1-6,8-9H,7,14-15H2",CKOFBUUFHALZGK-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,2.5,52,173,0,2,2,2,15,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINE, 2-(DIPHENYLMETHOXY)-N,N-DIMETHYL-",000058-73-1,3100,"2-benzhydryloxy-N,N-dimethylethanamine",CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",ZZVUWRFHKOJYTH-UHFFFAOYSA-N,C17H21NO,255.35,255.1623143,3.3,12.5,211,0,0,2,6,19,,150-165 °C at 2.00E+00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Valeric acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride",000062-68-0,65341,"2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride",CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl,"InChI=1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H",FHIKZROVIDCMJA-UHFFFAOYSA-N,C23H32ClNO2,390,389.212157,,29.5,375,0,1,3,11,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, METHYL ESTER",000076-89-1,66159,"methyl 2-hydroxy-2,2-diphenylacetate",COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O,"InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3",LJFIHTFNTGQZJL-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,2.6,46.5,257,0,1,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, bis(p-chlorophenyl)-",000083-05-6,6730,"2,2-bis(4-chlorophenyl)acetic acid",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl,"InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)",YIOCIFXUGBYCJR-UHFFFAOYSA-N,C14H10Cl2O2,281.1,280.0057849,4.5,37.3,258,0,1,2,3,18,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINE, N,N-DIMETHYL-2-[2-(PHENYLMETHYL)PHENOXY]-",000092-12-6,7077,"2-(2-benzylphenoxy)-N,N-dimethylethanamine",CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2,"InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",IZRPKIZLIFYYKR-UHFFFAOYSA-N,C17H21NO,255.35,255.1623143,3.9,12.5,235,0,0,2,6,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DICOFOL,000115-32-2,8268,"2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,"InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H",UOAMTSKGCBMZTC-UHFFFAOYSA-N,C14H9Cl5O,370.5,369.906653,4.3,20.2,292,0,1,1,2,20,"75 °F (USCG, 1999)","437 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
4-CHLORO-ALPHA-(4-CHLOROPHENYL)-ALPHA-HYDROXYBENZENEACETIC ACID ETHYL ESTER,000510-15-6,10522,"ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate",CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,"InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3",RAPBNVDSDCTNRC-UHFFFAOYSA-N,C16H14Cl2O3,325.2,324.0319997,4.3,46.5,323,0,1,3,5,21,,"313 to 316 °F at 0.07 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzhydrol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-, hydrochloride",000511-13-7,83813,1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride,CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O.Cl,"InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H",XYGSFNHCFFAJPO-UHFFFAOYSA-N,C17H21Cl2NO,326.3,325.1000197,,23.5,291,0,2,2,5,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-PHENYL-.ALPHA.-PROPYL-",000841-32-7,96732,"2,2-diphenylpentanoic acid",CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O,"InChI=1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)",IVYXLCYENQNVHM-UHFFFAOYSA-N,C17H18O2,254.32,254.1306798,4.3,37.3,268,0,1,2,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENAMID,000957-51-7,13728,"N,N-dimethyl-2,2-diphenylacetamide",CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3",QAHFOPIILNICLA-UHFFFAOYSA-N,C16H17NO,239.31,239.1310142,3,20.3,244,0,0,1,3,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINE, N,N-DIMETHYL-2-[2-(PHENYLMETHYL)PHENOXY]-, 2-HYDROXY-1,2,3-PROPANE",001176-08-5,298107,"2-(2-benzylphenoxy)-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",ZZYHCCDMBJTROG-UHFFFAOYSA-N,C23H29NO8,447.5,447.1893169,,145,463,0,4,9,11,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, alpha-((aminocarbonyl)amino)-alpha-phenyl-",006802-95-5,134613,"2-(carbamoylamino)-2,2-diphenylacetic acid",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)NC(=O)N,"InChI=1S/C15H14N2O3/c16-14(20)17-15(13(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,19)(H3,16,17,20)",UESCARMREGSPTP-UHFFFAOYSA-N,C15H14N2O3,270.28,270.1004423,1.7,92.4,340,0,3,3,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, N-tert-butyl-1-methyl-3,3-diphenyl-, hydrochloride",007082-21-5,23479,"N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride",CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C.Cl,"InChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H",RNGHAJVBYQPLAZ-UHFFFAOYSA-N,C20H28ClN,317.9,317.1910276,,12,261,0,2,1,6,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-AMINO-5-[(4-AMINOPHENYL)METHYL]-, METHYL ESTER",051947-52-5,104025,methyl 2-amino-5-[(4-aminophenyl)methyl]benzoate,COC(=O)C1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N,"InChI=1S/C15H16N2O2/c1-19-15(18)13-9-11(4-7-14(13)17)8-10-2-5-12(16)6-3-10/h2-7,9H,8,16-17H2,1H3",QEJNFWVQDMOATI-UHFFFAOYSA-N,C15H16N2O2,256.3,256.1211778,3.1,78.3,301,0,2,4,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
MODAFINIL (PROVIGIL),068693-11-8,4236,2-benzhydrylsulfinylacetamide,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)",YFGHCGITMMYXAQ-UHFFFAOYSA-N,C15H15NO2S,273.4,273.0823499,1.7,79.4,302,0,1,3,5,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
AMINODIPHENYLMETHANE,005285-60-9,110640,N-butan-2-yl-4-[[4-(butan-2-ylamino)phenyl]methyl]aniline,CCC(C)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(C)CC,"InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3",YZZTZUHVGICSCS-UHFFFAOYSA-N,C21H30N2,310.5,310.240899,6.5,24.1,271,0,2,2,8,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"4,4'-METHYLENEBIS(O-ETHYL)ANILINE",019900-65-3,88306,4-[(4-amino-3-ethylphenyl)methyl]-2-ethylaniline,CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)CC)N,"InChI=1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3",CBEVWPCAHIAUOD-UHFFFAOYSA-N,C17H22N2,254.37,254.1782987,4.1,52,240,0,2,2,4,19,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-DIMETHYL(1-PHENYLETHYL)BENZENE,040766-31-2,3033855,"1,2-dimethyl-3-(1-phenylethyl)benzene",CC1=C(C(=CC=C1)C(C)C2=CC=CC=C2)C,"InChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3",GNPWYHFXSMINJQ-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4.9,0,202,0,0,0,2,16,,,1,1,1,1,1,0,1,0,0,0,0,0,0,0,0,0,1,1,1,1
METHOXYCHLOR,000072-43-5,4115,"1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene",COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,"InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3",IAKOZHOLGAGEJT-UHFFFAOYSA-N,C16H15Cl3O2,345.6,344.013763,5.1,18.5,279,0,0,2,4,21,,"Decomposes (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,1
DICHLOROPHENE,000097-23-4,3037,4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol,C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O,"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2",MDNWOSOZYLHTCG-UHFFFAOYSA-N,C13H10Cl2O2,269.12,268.0057849,4.3,40.5,226,0,2,2,2,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENE-BIS-(2-CHLOROANILINE)",000101-14-4,7543,4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,"InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2",IBOFVQJTBBUKMU-UHFFFAOYSA-N,C13H12Cl2N2,267.15,266.0377538,3.8,52,226,0,2,2,2,17,113 °C c.c.,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS(2-METHYLANILINE)",000838-88-0,13283,4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,"InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3",WECDUOXQLAIPQW-UHFFFAOYSA-N,C15H18N2,226.32,226.1469986,2.6,52,217,0,2,2,2,17,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-DIMETHYL-4-(1-PHENYLETHYL)BENZENE",006196-95-8,22570,"1,2-dimethyl-4-(1-phenylethyl)benzene",CC1=C(C=C(C=C1)C(C)C2=CC=CC=C2)C,"InChI=1S/C16H18/c1-12-9-10-16(11-13(12)2)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3",FLWSNJAEMMOZJG-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4.9,0,202,0,0,0,2,16,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
(PHENYLETHYL)-BENZENE,038888-98-1,11918,1-phenylethylbenzene,CC(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3",BSZXAFXFTLXUFV-UHFFFAOYSA-N,C14H14,182.26,182.1095504,3.6,0,131,0,0,0,2,14,,,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-METHYL-2-(PHENYLMETHYL)-",000713-36-0,69738,1-benzyl-2-methylbenzene,CC1=CC=CC=C1CC2=CC=CC=C2,"InChI=1S/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3",PQTAUFTUHHRKSS-UHFFFAOYSA-N,C14H14,182.26,182.1095504,4.7,0,155,0,0,0,2,14,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIPHENYLMETHANE,000090-99-3,7035,[chloro(phenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)Cl,"InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",ZDVDCDLBOLSVGM-UHFFFAOYSA-N,C13H11Cl,202.68,202.054928,3.9,0,137,0,0,0,2,14,,173 °C @ 19 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROBIS(4-FLUOROPHENYL)METHANE,027064-94-4,2723773,1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene,C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F,"InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H",FHPNLCLHMNPLEW-UHFFFAOYSA-N,C13H9ClF2,238.66,238.0360843,4.2,0,184,0,0,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLORODIPHENYLMETHANE,002051-90-3,16327,[dichloro(phenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl,"InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",OPTDDWCXQQYKGU-UHFFFAOYSA-N,C13H10Cl2,237.12,236.0159557,4.5,0,169,0,0,0,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-4-(CHLOROPHENYLMETHYL)-",000134-83-8,241584,1-chloro-4-[chloro(phenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H",ALKWTKGPKKAZMN-UHFFFAOYSA-N,C13H10Cl2,237.12,236.0159557,5.1,0,179,0,0,0,2,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENE, 1-(CHLOROMETHYL)-4-(PHENYLMETHYL)-",014297-39-3,84334,1-benzyl-4-(chloromethyl)benzene,C1=CC=C(C=C1)CC2=CC=C(C=C2)CCl,"InChI=1S/C14H13Cl/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2",VYNOLHAQTWUNLJ-UHFFFAOYSA-N,C14H13Cl,216.7,216.0705781,4.2,0,164,0,0,0,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-",001745-89-7,74457,4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol,CC(C)(C1=CC(=C(C=C1)O)CC=C)C2=CC(=C(C=C2)O)CC=C,"InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3",WOCGGVRGNIEDSZ-UHFFFAOYSA-N,C21H24O2,308.4,308.17763,6.1,40.5,365,0,2,2,6,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
METHYLENE BISPHENYL ISOCYANATE,000101-68-8,7570,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O,"InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2",UPMLOUAZCHDJJD-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,5.4,58.9,332,0,0,4,4,19,"425 °F (NTP, 1992)","381 to 390 °F at 5 mmHg (NTP, 1992)",0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
BIS(2-HYDROXYPHENYL)METHANE,002467-02-9,75575,2-[(2-hydroxyphenyl)methyl]phenol,C1=CC=C(C(=C1)CC2=CC=CC=C2O)O,"InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2",MQCPOLNSJCWPGT-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.1,40.5,173,0,2,2,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"4,4'-METHYLENEDIPHENOL",000620-92-8,12111,4-[(4-hydroxyphenyl)methyl]phenol,C1=CC(=CC=C1CC2=CC=C(C=C2)O)O,"InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2",PXKLMJQFEQBVLD-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,2.9,40.5,157,0,2,2,2,15,,Sublimes,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"(1-METHYLETHYLIDENE)BIS(4,1-PHENYLENEOXY(2-HYDROXY-3,1-PROPANEDIYL)) BISMETHACRYLATE",001565-94-2,15284,[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate,CC(=C)C(=O)OCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COC(=O)C(=C)C)O)O,"InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3",AMFGWXWBFGVCKG-UHFFFAOYSA-N,C29H36O8,512.6,512.2410181,5.1,112,698,0,2,8,16,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-METHYL-2-PROPENOIC ACID (1-METHYLETHYLIDENE)BIS(4,1-PHENYLENEOXY-2,1-ETHANEDIYL) ESTER",024448-20-2,90508,2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C(=C)C,"InChI=1S/C27H32O6/c1-19(2)25(28)32-17-15-30-23-11-7-21(8-12-23)27(5,6)22-9-13-24(14-10-22)31-16-18-33-26(29)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3",VIYWVRIBDZTTMH-UHFFFAOYSA-N,C27H32O6,452.5,452.2198887,6.4,71.1,610,0,0,6,14,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"3,3'-Dimethyl Diphenylmethane-4,4'-Diisocyanate",000139-25-3,61090,1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N=C=O)C)N=C=O,"InChI=1S/C17H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h3-8H,9H2,1-2H3",DTZHXCBUWSTOPO-UHFFFAOYSA-N,C17H14N2O2,278.3,278.1055277,6.2,58.9,398,0,0,4,4,21,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,1
"2,2'-DIPHENYLMETHANE DIISOCYANATE",002536-05-2,62450,1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene,C1=CC=C(C(=C1)CC2=CC=CC=C2N=C=O)N=C=O,"InChI=1S/C15H10N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h1-8H,9H2",JIABEENURMZTTI-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,5.4,58.9,348,0,0,4,4,19,,,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
BENZHYDROL,000091-01-0,7037,diphenylmethanol,C1=CC=C(C=C1)C(C2=CC=CC=C2)O,"InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",QILSFLSDHQAZET-UHFFFAOYSA-N,C13H12O,184.23,184.088815,2.7,20.2,137,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIPHENYLPROPANE",000778-22-3,13065,2-phenylpropan-2-ylbenzene,CC(C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",MILSYCKGLDDVLM-UHFFFAOYSA-N,C15H16,196.29,196.1252005,5.2,0,160,0,0,0,2,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
4-BENZYLPHENOL,000101-53-1,7563,4-benzylphenol,C1=CC=C(C=C1)CC2=CC=C(C=C2)O,"InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2",HJSPWKGEPDZNLK-UHFFFAOYSA-N,C13H12O,184.23,184.088815,3.5,20.2,153,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYDIPHENYLMETHANE,028994-41-4,24216,2-benzylphenol,C1=CC=C(C=C1)CC2=CC=CC=C2O,"InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2",CDMGNVWZXRKJNS-UHFFFAOYSA-N,C13H12O,184.23,184.088815,3.6,20.2,161,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZYLRESORCINOL,002284-30-2,75294,"4-benzylbenzene-1,3-diol",C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O,"InChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2",QVFIWTNWKHFVEH-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,2.4,40.5,187,0,2,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DI-TERT-BUTYL-6-(4-METHOXYBENZYL) PHENOL",071712-03-3,100577,"2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenol",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)OC,"InChI=1S/C22H30O2/c1-21(2,3)17-13-16(20(23)19(14-17)22(4,5)6)12-15-8-10-18(24-7)11-9-15/h8-11,13-14,23H,12H2,1-7H3",DLDDIHRRFIDSOW-UHFFFAOYSA-N,C22H30O2,326.5,326.2245802,6.8,29.5,382,0,1,2,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECAFLUOROBENZHYDROL,001766-76-3,74485,"bis(2,3,4,5,6-pentafluorophenyl)methanol",C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)O,"InChI=1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H",WRLLBTKDSCJOBL-UHFFFAOYSA-N,C13H2F10O,364.14,363.9945963,3.7,20.2,371,0,1,11,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE",001171-47-7,633763,"4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid",C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F,"InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)",PHQYMDAUTAXXFZ-UHFFFAOYSA-N,C17H10F6O4,392.25,392.0483278,4.9,74.6,505,0,2,10,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4-BIS(P-HYDROXYPHENOL)VALERIC ACID",000126-00-1,67174,"4,4-bis(4-hydroxyphenyl)pentanoic acid",CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,"InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)",VKOUCJUTMGHNOR-UHFFFAOYSA-N,C17H18O4,286.32,286.1205091,3.3,77.8,317,0,3,4,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID, (1-METHYLETHYLIDENE)DI-4,1-PHENYLENE ESTER",003253-39-2,76739,[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate,CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)C(=C)C,"InChI=1S/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3",QUZSUMLPWDHKCJ-UHFFFAOYSA-N,C23H24O4,364.4,364.1674592,6.2,52.6,523,0,0,4,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-BENZYLBENZOIC ACID,000612-35-1,11924,2-benzylbenzoic acid,C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O,"InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)",FESDHLLVLYZNFY-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,2.3,37.3,231,0,1,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BISBENZENEAMINE",001095-78-9,622236,"4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline",C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N,"InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2",BEKFRNOZJSYWKZ-UHFFFAOYSA-N,C15H12F6N2,334.26,334.0904674,4.5,52,352,0,2,8,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRACHLOROBISPHENOL-A.,000079-95-8,6619,"2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol",CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl,"InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",KYPYTERUKNKOLP-UHFFFAOYSA-N,C15H12Cl4O2,366.1,365.95619,6.5,40.5,310,0,2,2,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, 4-(DIMETHYLAMINO)-.ALPHA.-[4-(DIMETHYLAMINO)PHENYL]-",000119-58-4,92742,bis[4-(dimethylamino)phenyl]methanol,CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)O,"InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3",YLZSIUVOIFJGQZ-UHFFFAOYSA-N,C17H22N2O,270.37,270.1732133,3,26.7,249,0,1,3,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, .BETA.-PHENYL-",000606-83-7,64798,"3,3-diphenylpropanoic acid",C1=CC=C(C=C1)C(CC(=O)O)C2=CC=CC=C2,"InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)",BZQGAPWJKAYCHR-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,3.3,37.3,219,0,1,2,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANONE, 1,1-DIPHENYL-",000781-35-1,69907,"1,1-diphenylpropan-2-one",CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3",DBNWBEGCONIRGQ-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,3.2,17.1,204,0,0,1,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, 4-METHYL-.ALPHA.-PHENYL-",001517-63-1,95377,(4-methylphenyl)-phenylmethanol,CC1=CC=C(C=C1)C(C2=CC=CC=C2)O,"InChI=1S/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3",IHASOVONMUHDND-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3.1,20.2,176,0,1,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, 2,2-diphenyl-",003060-50-2,18289,"2-amino-2,2-diphenylacetic acid",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)N,"InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)",YBONNYNNFBAKLI-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,-1,63.3,247,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABROMOBISPHENOL-A-BISETHOXYLATE.,004162-45-2,20113,"2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol",CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br,"InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3",RVHUMFJSCJBNGS-UHFFFAOYSA-N,C19H20Br4O4,632,631.80541,6.1,58.9,391,0,2,4,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, [HYDROXYACETATO(2-)-O1,O2](ISOOCTADECANOATO-O)[4-(1-METHYL-1-PHENYLE",068443-72-1,110288,2-hydroxyacetic acid;16-methylheptadecanoic acid;4-(2-phenylpropan-2-yl)phenol;titanium,CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.C(C(=O)O)O.[Ti],"InChI=1S/C18H36O2.C15H16O.C2H4O3.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;3-1-2(4)5;/h17H,3-16H2,1-2H3,(H,19,20);3-11,16H,1-2H3;3H,1H2,(H,4,5);",VPKMTZGFJFMPSD-UHFFFAOYSA-N,C35H56O6Ti,620.7,620.3556302,,115,625,0,4,6,17,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZYLBENZOIC ACID,,136429,4-benzylbenzoic acid,C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)O,"InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)",FPHVRPCVNPHPBH-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,4,37.3,223,0,1,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZYL-4-CHLOROPHENOL,000120-32-1,8425,2-benzyl-4-chlorophenol,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,"InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2",NCKMMSIFQUPKCK-UHFFFAOYSA-N,C13H11ClO,218.68,218.0498427,4,20.2,189,0,1,1,2,15,"370 °F (NTP, 1992)","320 to 324 °F at 3.5 mmHg (NTP, 1992)",1,0,1,0,0,1,1,1,0,0,0,0,0,1,0,0,1,1,1,0
1-ISOCYANATO-2-[(4-ISOCYANATOPHENYL) METHYLBENZENE,005873-54-1,62593,1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene,C1=CC=C(C(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O,"InChI=1S/C15H10N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8H,9H2",LFSYUSUFCBOHGU-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,5.4,58.9,376,0,0,4,4,19,,,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
BISPHENOL A-D16,096210-87-6,16212886,"1,2,4,5-tetradeuterio-3-deuteriooxy-6-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-deuteriooxyphenyl)propan-2-yl]benzene",[2H]C1=C(C(=C(C(=C1C(C2=C(C(=C(C(=C2[2H])[2H])O[2H])[2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])O[2H])[2H],"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2",IISBACLAFKSPIT-MAJJRYNQSA-N,C15H16O2,244.38,244.2154577,3.3,40.5,209,0,2,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,1
"PHENOL, 2-[(4-HYDROXYPHENYL)METHYL]-",002467-03-0,75576,2-[(4-hydroxyphenyl)methyl]phenol,C1=CC=C(C(=C1)CC2=CC=C(C=C2)O)O,"InChI=1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2",LVLNPXCISNPHLE-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.2,40.5,185,0,2,2,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,1
BISPHENYL A DIGLYCIDYL ETHER DIACRYLATE,004687-94-9,92212,[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate,CC(C)(C1=CC=C(C=C1)OCC(COC(=O)C=C)O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O,"InChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3",VZTQQYMRXDUHDO-UHFFFAOYSA-N,C27H32O8,484.5,484.209718,4.4,112,619,0,2,8,16,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYANIC ACID, METHYLENEBIS(2,6-DIMETHYL-4,1-PHENYLENE) ESTER",101657-77-6,92424,"[4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] cyanate",CC1=CC(=CC(=C1OC#N)C)CC2=CC(=C(C(=C2)C)OC#N)C,"InChI=1S/C19H18N2O2/c1-12-5-16(6-13(2)18(12)22-10-20)9-17-7-14(3)19(23-11-21)15(4)8-17/h5-8H,9H2,1-4H3",JNCRKOQSRHDNIO-UHFFFAOYSA-N,C19H18N2O2,306.4,306.1368278,5.3,66,420,0,0,4,4,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BISPHENOL A DICYANATE [1,3-BIS(4-CYANOPHENYL)PROPANE]",001156-51-0,70872,[4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate,CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N,"InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3",AHZMUXQJTGRNHT-UHFFFAOYSA-N,C17H14N2O2,278.3,278.1055277,4.1,66,386,0,0,4,4,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4,4'-METHYLENEDIANILINE",000101-77-9,7577,4-[(4-aminophenyl)methyl]aniline,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N,"InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2",YBRVSVVVWCFQMG-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,1.6,52,157,0,2,2,2,15,"430 °F (NTP, 1992)","748 to 750 °F at 768 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,1,1
BISPHENOL A,000080-05-7,6623,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",IISBACLAFKSPIT-UHFFFAOYSA-N,C15H16O2,228.29,228.1150297,3.3,40.5,209,0,2,2,2,17,"175 °F (NTP, 1992)","428 °F at 4 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,1
"4,4'-DIFLUOROBENZHYDROL",000365-24-2,123049,bis(4-fluorophenyl)methanol,C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F,"InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H",WCTZPQWLFWZYJE-UHFFFAOYSA-N,C13H10F2O,220.21,220.0699713,2.9,20.2,184,0,1,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(1-PHENYLETHYL)-",001988-89-2,94763,4-(1-phenylethyl)phenol,CC(C1=CC=CC=C1)C2=CC=C(C=C2)O,"InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3",XHASMJXNUHCHBL-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3.5,20.2,176,0,1,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS(N,N-DIMETHYL)BENZENAMINE",000101-61-1,7567,"4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,"InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3",JNRLEMMIVRBKJE-UHFFFAOYSA-N,C17H22N2,254.37,254.1782987,3.9,6.5,220,0,0,2,4,19,"412 °F (NTP, 1992)","734 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABROMOBISPHENOL A,000079-94-7,6618,"2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol",CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br,"InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",VEORPZCZECFIRK-UHFFFAOYSA-N,C15H12Br4O2,543.9,543.75298,6.8,40.5,310,0,2,2,2,21,178 °C,~316 °C (decomposes at 200-300 °C),1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2,6-DIBROMO-4-[1-(3-BROMO-4-HYDROXYPHENYL)-1-METHYLETHYL]-",006386-73-8,80801,"2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol",CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br,"InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3",WYBOEVJIVYIEJL-UHFFFAOYSA-N,C15H13Br3O2,465,463.84452,6.1,40.5,325,0,2,2,2,20,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLODITHANE,000053-19-0,4211,"1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP-UHFFFAOYSA-N,C14H10Cl4,320,319.950711,6.2,0,248,0,0,0,3,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHENOL",001478-61-1,73864,"4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol",C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O,"InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H",ZFVMWEVVKGLCIJ-UHFFFAOYSA-N,C15H10F6O2,336.23,336.0584985,4.5,40.5,352,0,2,8,2,23,,400 °C[NTP; Chemical Information Profile for Bisphenol AF,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,2-METHYLENEBIS(6-TERT-BUTYL-P CRESOL)",000119-47-1,8398,2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,"InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3",KGRVJHAUYBGFFP-UHFFFAOYSA-N,C23H32O2,340.5,340.2402303,7.2,40.5,390,0,2,2,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENE, 1,4-DIMETHYL-2-(1-PHENYLETHYL)-",006165-51-1,110796,"1,4-dimethyl-2-(1-phenylethyl)benzene",CC1=CC(=C(C=C1)C)C(C)C2=CC=CC=C2,"InChI=1S/C16H18/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3",FRAOOIFTSMORED-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4.9,0,202,0,0,0,2,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-HYDROXY-1-(4-(4-(2-HYDROXY-2-METHYLPROPIONYL)BENZYL)PHENYL)-2-METHYLPROPAN-1-ONE,474510-57-1,22019754,2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one,CC(C)(C(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C(C)(C)O)O,"InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3",PCKZAVNWRLEHIP-UHFFFAOYSA-N,C21H24O4,340.4,340.1674592,3.1,74.6,434,0,2,4,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIPHENYLMETHANE,000101-81-5,7580,benzylbenzene,C1=CC=C(C=C1)CC2=CC=CC=C2,"InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2",CZZYITDELCSZES-UHFFFAOYSA-N,C13H12,168.23,168.0939004,4.1,0,111,0,0,0,2,13,130 °C,264.5 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethane, 2,2-bis(p-ethylphenyl)-1,1-dichloro-",000072-56-0,6295,"1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene",CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,"InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3",QFMDFTQOJHFVNR-UHFFFAOYSA-N,C18H20Cl2,307.3,306.094206,6.6,0,237,0,0,0,5,20,,"Decomposes (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3,5-TRIMETHOXY-2-(PHENYLMETHYL)-",022807-99-4,89845,"2-benzyl-1,3,5-trimethoxybenzene",COC1=CC(=C(C(=C1)OC)CC2=CC=CC=C2)OC,"InChI=1S/C16H18O3/c1-17-13-10-15(18-2)14(16(11-13)19-3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",YTQHXEQIYCMRGS-UHFFFAOYSA-N,C16H18O3,258.31,258.1255944,3.7,27.7,236,0,0,3,5,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISPHENOL A PROPOXYLATE (1 PO/PHENOL),037353-75-6,8306,1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol,CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)O)O,"InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3",MIUUNYUUEFHIHM-UHFFFAOYSA-N,C21H28O4,344.4,344.1987594,4.2,58.9,334,0,2,4,8,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALLYL ETHER OF TETRABROMOBISPHENOL-A.,025327-89-3,61972,"1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene",CC(C)(C1=CC(=C(C(=C1)Br)OCC=C)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br,"InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3",PWXTUWQHMIFLKL-UHFFFAOYSA-N,C21H20Br4O2,624,623.81558,8.7,18.5,433,0,0,2,8,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL",000118-82-1,8372,"2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3",MDWVSAYEQPLWMX-UHFFFAOYSA-N,C29H44O2,424.7,424.3341306,9.8,40.5,480,0,2,2,6,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DIOCTADECYL-1,1'-METHYLENEBIS(4,1-PHENYLENE)DIUREA)",043136-14-7,14299393,1-octadecyl-3-[4-[[4-(octadecylcarbamoylamino)phenyl]methyl]phenyl]urea,CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H88N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-52-50(56)54-48-39-35-46(36-40-48)45-47-37-41-49(42-38-47)55-51(57)53-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-45H2,1-2H3,(H2,52,54,56)(H2,53,55,57)",IHBLBMDDUQOYLA-UHFFFAOYSA-N,C51H88N4O2,789.3,788.6907281,19.5,82.3,812,0,4,2,38,57,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride",50-42-0,5763,"2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride",CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H",LKPINBXAWIMZCG-UHFFFAOYSA-N,C20H26ClNO2,347.9,347.1652068,,29.5,311,0,1,3,9,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, iodide",71-81-8,6284,"(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium iodide",CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-],"InChI=1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H",BFSMWENDZZIWPW-UHFFFAOYSA-N,C23H33IN2O,480.4,480.16376,,43.1,419,0,1,2,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-(1-(p-chlorophenyl)-1-phenylethoxy)-N,N-dimethyl-",77-38-3,6475,"2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine",CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3",KKHPNPMTPORSQE-UHFFFAOYSA-N,C18H22ClNO,303.8,303.138992,4.1,12.5,296,0,0,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(1-methylpropylidene)bis-",77-40-7,66166,4-[2-(4-hydroxyphenyl)butan-2-yl]phenol,CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,"InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3",HTVITOHKHWFJKO-UHFFFAOYSA-N,C16H18O2,242.31,242.1306798,3.9,40.5,226,0,2,2,3,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 4,4'-isopropylidenedi-",79-97-0,6620,4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol,CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O,"InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3",YMTYZTXUZLQUSF-UHFFFAOYSA-N,C17H20O2,256.34,256.1463299,4.7,40.5,272,0,2,2,2,19,,238-240 °C at 12 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzhydrol, 4,4'-dichloro-alpha-methyl-",80-06-8,6624,"1,1-bis(4-chlorophenyl)ethanol",CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,"InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3",URYAFVKLYSEINW-UHFFFAOYSA-N,C14H12Cl2O,267.1,266.0265204,2.8,20.2,219,0,1,1,2,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-",83-98-7,4601,"N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine",CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",QVYRGXJJSLMXQH-UHFFFAOYSA-N,C18H23NO,269.4,269.1779644,3.8,12.5,260,0,0,2,6,20,,195 °C @ 12 ATM,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Cresol, 4,4'-butylidenebis(6-tert-butyl-",85-60-9,6815,2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol,CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C,"InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3",PFANXOISJYKQRP-UHFFFAOYSA-N,C26H38O2,382.6,382.2871805,8.6,40.5,444,0,2,2,6,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-",88-24-4,6928,2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol,CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O,"InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3",GPNYZBKIGXGYNU-UHFFFAOYSA-N,C25H36O2,368.6,368.2715304,8.1,40.5,416,0,2,2,6,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(phenylmethyl)-, carbamate",101-71-3,7572,(4-benzylphenyl) carbamate,C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)N,"InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)",ZBJBRUSGEJORQL-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,3,52.3,241,0,1,2,4,17,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Methane, bis(4-chlorophenyl)-",101-76-8,7576,1-chloro-4-[(4-chlorophenyl)methyl]benzene,C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl,"InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2",LQGSWLJZAKVBJH-UHFFFAOYSA-N,C13H10Cl2,237.12,236.0159557,4.9,0,157,0,0,0,2,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(1-methylethylidene)bis(2-(1-methylethyl)-",127-54-8,228537,4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol,CC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)C)O,"InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3",IJWIRZQYWANBMP-UHFFFAOYSA-N,C21H28O2,312.4,312.2089301,6.3,40.5,340,0,2,2,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-((p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)-N,N-dimethyl-, hydrochloride",562-09-4,11223,"2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride",CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C.Cl,"InChI=1S/C18H22ClNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H",PAQUKACYLLABHB-UHFFFAOYSA-N,C18H23Cl2NO,340.3,339.1156697,,12.5,296,0,1,2,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methane, chlorobis(p-chlorophenyl)-",782-08-1,13078,1-chloro-4-[chloro-(4-chlorophenyl)methyl]benzene,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)Cl)Cl,"InChI=1S/C13H9Cl3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H",LKBJQRZQDCMBBJ-UHFFFAOYSA-N,C13H9Cl3,271.6,269.976983,5.4,0,181,0,0,0,2,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzhydrol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-",791-35-5,2795,1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol,CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",WRCHFMBCVFFYEQ-UHFFFAOYSA-N,C17H20ClNO,289.8,289.123342,3.6,23.5,291,0,1,2,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, diphenyl-",947-91-1,13696,"2,2-diphenylacetaldehyde",C1=CC=C(C=C1)C(C=O)C2=CC=CC=C2,"InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H",HLLGFGBLKOIZOM-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3,17.1,170,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methane, ditolyl-",1335-47-3,21071,1-methyl-4-[(4-methylphenyl)methyl]benzene,CC1=CC=C(C=C1)CC2=CC=C(C=C2)C,"InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3",HZAWPPRBCALFRN-UHFFFAOYSA-N,C15H16,196.29,196.1252005,4.6,0,148,0,0,0,2,15,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 2-((p-bromo-alpha-phenylbenzyl)oxy)-N,N-dimethyl-, hydrochloride",1808-12-4,519514,"2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride",CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl,"InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H",ZQDJSWUEGOYDGT-UHFFFAOYSA-N,C17H21BrClNO,370.7,369.0495,,12.5,258,0,1,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetyl chloride, diphenyl-",1871-76-7,74637,"2,2-diphenylacetyl chloride",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)Cl,"InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",MSYLETHDEIJMAF-UHFFFAOYSA-N,C14H11ClO,230.69,230.0498427,4.1,17.1,209,0,0,1,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,2'-methylenebis(4,6-dichloro-",1940-43-8,16023,"2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol",C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl,"InChI=1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2",PKKDWPSOOQBWFB-UHFFFAOYSA-N,C13H8Cl4O2,338,337.92489,5.6,40.5,276,0,2,2,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 4,4'-ethylidenebis-",8/5/81,608116,4-[1-(4-hydroxyphenyl)ethyl]phenol,CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,"InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3",HCNHNBLSNVSJTJ-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,3.9,40.5,179,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(1-methylethylidene)bis-, disodium salt",2444-90-8,17127,disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate,CC(C)(C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].[Na+].[Na+],"InChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2",WGMBWDBRVAKMOO-UHFFFAOYSA-L,C15H14Na2O2,272.25,272.0789183,,46.1,209,0,0,2,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Cresotic acid, 5,5'-methylenedi-",2581-36-4,17413,5-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid,CC1=CC(=CC(=C1O)C(=O)O)CC2=CC(=C(C(=C2)C)O)C(=O)O,"InChI=1S/C17H16O6/c1-8-3-10(6-12(14(8)18)16(20)21)5-11-4-9(2)15(19)13(7-11)17(22)23/h3-4,6-7,18-19H,5H2,1-2H3,(H,20,21)(H,22,23)",UPLNCYRSCVJILM-UHFFFAOYSA-N,C17H16O6,316.3,316.0946882,4,115,410,0,4,6,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethane, 2,2-bis(p-chlorophenyl)-1-chloro-",2642-80-0,17532,1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethyl]benzene,C1=CC(=CC=C1C(CCl)C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2",CHBOSHOWERDCMH-UHFFFAOYSA-N,C14H11Cl3,285.6,283.992633,5.6,0,194,0,0,0,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanol, 4-chloro-beta-(4-chlorophenyl)-",2642-82-2,17533,"2,2-bis(4-chlorophenyl)ethanol",C1=CC(=CC=C1C(CO)C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2",ZVIDYKRNLNAXFT-UHFFFAOYSA-N,C14H12Cl2O,267.1,266.0265204,4.4,20.2,196,0,1,1,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetyl chloride, chlorodiphenyl-",2902-98-9,17941,"2-chloro-2,2-diphenylacetyl chloride",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)Cl)Cl,"InChI=1S/C14H10Cl2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",NFHKZAUDRWRXMZ-UHFFFAOYSA-N,C14H10Cl2O,265.1,264.0108703,4.6,17.1,247,0,0,1,3,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 2,2-diphenyl-1,1,1-trichloro-",2971-22-4,18085,"(2,2,2-trichloro-1-phenylethyl)benzene",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(Cl)(Cl)Cl,"InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",ZADGQTHIZZOKGE-UHFFFAOYSA-N,C14H11Cl3,285.6,283.992633,4.9,0,204,0,0,0,2,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(2,2,2-trichloroethylidene)di-",2971-36-0,76302,"4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol",C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl)O,"InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H",IUGDILGOLSSKNE-UHFFFAOYSA-N,C14H11Cl3O2,317.6,315.982463,4.9,40.5,255,0,2,2,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 2,2-bis(4-bromophenyl)-1,1,1-trichloro-",2990-17-2,18130,"1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl)Br,"InChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YPWDDFGPYBIPBG-UHFFFAOYSA-N,C14H9Br2Cl3,443.4,441.81161,7,0,255,0,0,0,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(ethylbutoxy)diphenyl-, 2-(dimethylamino)ethyl ester, hydrochloride",3321-06-0,9866796,"2-(dimethylamino)ethyl 2-(2-ethylbutoxy)-2,2-diphenylacetate;hydrochloride",CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C.Cl,"InChI=1S/C24H33NO3.ClH/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4;/h7-16,20H,5-6,17-19H2,1-4H3;1H",RSDBEODKTNUEMS-UHFFFAOYSA-N,C24H34ClNO3,420,419.2227216,,38.8,417,0,1,4,12,29,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethane, 2,2-bis(p-chlorophenyl)-1,1,1,2-tetrachloro-",3563-45-9,19093,"1-chloro-4-[1,2,2,2-tetrachloro-1-(4-chlorophenyl)ethyl]benzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C14H8Cl6/c15-11-5-1-9(2-6-11)13(17,14(18,19)20)10-3-7-12(16)8-4-10/h1-8H",JOQCINXYMZALAZ-UHFFFAOYSA-N,C14H8Cl6,388.9,387.872766,5.6,0,288,0,0,0,2,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenemethanol, alpha-ethynyl-alpha-phenyl-",3923-52-2,92976,"1,1-diphenylprop-2-yn-1-ol",C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O,"InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H",SMCLTAARQYTXLW-UHFFFAOYSA-N,C15H12O,208.25,208.088815,2.8,20.2,242,0,1,1,3,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 2,2-bis(4-iodophenyl)-1,1,1-trichloro-",3972-13-2,19874,"1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene",C1=CC(=CC=C1C(C2=CC=C(C=C2)I)C(Cl)(Cl)Cl)I,"InChI=1S/C14H9Cl3I2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H",CLPVQCQBVPUQMN-UHFFFAOYSA-N,C14H9Cl3I2,537.4,535.78593,6.2,0,255,0,0,0,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, N,N-dimethyl-2-(alpha-(p-tolyl)benzyloxy)-, hydrochloride",4024-34-4,16206677,"N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride",CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C.Cl,"InChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H",BNFDLGUZDIWYJK-UHFFFAOYSA-N,C18H24ClNO,305.8,305.1546421,,12.5,252,0,1,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2,2-diphenyl-",4695-13-0,78420,"2,2-diphenylacetamide",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N,"InChI=1S/C14H13NO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,15,16)",ZXQVXEAZKZFEEP-UHFFFAOYSA-N,C14H13NO,211.26,211.099714,2.4,43.1,209,0,1,1,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Benzilamide,4746-87-6,78483,"2-hydroxy-2,2-diphenylacetamide",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N)O,"InChI=1S/C14H13NO2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H2,15,16)",REQXYFLFNBBIRX-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,1.6,63.3,247,0,2,2,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propanol, 1-chloro-3-(4-(2-(4-(3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenoxy)-",4809-35-2,3479589,1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol,CC(C)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O,"InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3",PTCFDJRJOGPUFE-UHFFFAOYSA-N,C21H26Cl2O4,413.3,412.1208147,4.6,58.9,369,0,2,4,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cysteine, S-diphenylmethyl-, L-",5191-80-0,21261,(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)SC[C@@H](C(=O)O)N,"InChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1",SHOGZCIBPYFZRP-AWEZNQCLSA-N,C16H17NO2S,287.4,287.098,0.5,88.6,281,0,2,4,6,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hexylamine, 3,3-diphenyl-4-imino-N,N,2-trimethyl-, hydrochloride",5341-52-6,21434,"(5-imino-4,4-diphenylheptan-2-yl)-dimethylazanium chloride",CCC(=N)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-],"InChI=1S/C21H28N2.ClH/c1-5-20(22)21(16-17(2)23(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,22H,5,16H2,1-4H3;1H",BGEVBTITMKEOII-UHFFFAOYSA-N,C21H29ClN2,344.9,344.2019266,,28.3,344,0,2,2,7,24,,,0,0,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"2,6-Xylenol, 4,4'-methylenedi-",5384-21-4,79345,"4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol",CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C,"InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3",AZZWZMUXHALBCQ-UHFFFAOYSA-N,C17H20O2,256.34,256.1463299,4.6,40.5,239,0,2,2,2,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl-",5613-46-7,79717,"4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol",CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(C(=C2)C)O)C,"InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3",ODJUOZPKKHIEOZ-UHFFFAOYSA-N,C19H24O2,284.4,284.17763,5.5,40.5,295,0,2,2,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methane, bis(pentafluorophenyl)bromo-",5736-49-2,21961,"1-[bromo-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene",C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)Br,InChI=1S/C13HBrF10/c14-3(1-4(15)8(19)12(23)9(20)5(1)16)2-6(17)10(21)13(24)11(22)7(2)18/h3H,YNRCTGFUNFLXMR-UHFFFAOYSA-N,C13HBrF10,427.03,425.91019,5.2,0,371,0,0,10,2,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzilic acid, 4,4'-dichloro-, isopropyl ester",10/2/36,22094,"propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate",CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,"InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3",AXGUBXVWZBFQGA-UHFFFAOYSA-N,C17H16Cl2O3,339.2,338.0476498,4.7,46.5,348,0,1,3,5,22,,148-150 °C @ 0.5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, (-)-",5967-73-7,22266,"(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride",CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m1./s1",FJQXCDYVZAHXNS-UNTBIKODSA-N,C21H28ClNO,345.9,345.1859422,,20.3,346,0,1,2,7,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, diphenylacetate",4/8/13,197841,"2-(2,2-diphenylacetyl)oxyethyl-diethyl-methylazanium bromide",CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Br-],"InChI=1S/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",WMUOPJLADBOCIX-UHFFFAOYSA-M,C21H28BrNO2,406.4,405.13034,,26.3,348,0,0,3,9,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2,2'-methylenebis-",6582-52-1,81061,2-[(2-aminophenyl)methyl]aniline,C1=CC=C(C(=C1)CC2=CC=CC=C2N)N,"InChI=1S/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2",OHKOAJUTRVTYSW-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,2.5,52,173,0,2,2,2,15,,,1,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,1,1,1
"Phenol, 4,4'-(1,3-dimethylbutylidene)bis-",6807-17-6,81259,4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol,CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,"InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3",VHLLJTHDWPAQEM-UHFFFAOYSA-N,C18H22O2,270.4,270.1619799,4.7,40.5,262,0,2,2,4,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"1-Propanol, 2,2-diethoxy-1,1-diphenyl-",7474-63-7,101228,"2,2-diethoxy-1,1-diphenylpropan-1-ol",CCOC(C)(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)OCC,"InChI=1S/C19H24O3/c1-4-21-18(3,22-5-2)19(20,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,20H,4-5H2,1-3H3",BCTYXOYLQMUBTP-UHFFFAOYSA-N,C19H24O3,300.4,300.1725446,3.3,38.7,293,0,1,3,7,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-",7492-32-2,3775,"(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium",CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",JTPUMZTWMWIVPA-UHFFFAOYSA-O,C23H33N2O+,353.5,353.2592887,4.3,43.1,419,1,1,1,8,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, diphenylethoxy-",7495-45-6,24119,"2-ethoxy-2,2-diphenylacetic acid",CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O,"InChI=1S/C16H16O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)",SEUTWLXKEMEBTR-UHFFFAOYSA-N,C16H16O3,256.3,256.1099444,3.2,46.5,270,0,1,3,5,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Cresol, 2,2'-methylenebis(6-nonyl-",7786-17-6,24582,2-[(2-hydroxy-5-methyl-3-nonylphenyl)methyl]-4-methyl-6-nonylphenol,CCCCCCCCCC1=C(C(=CC(=C1)C)CC2=CC(=CC(=C2O)CCCCCCCCC)C)O,"InChI=1S/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3",XQESJWNDTICJHW-UHFFFAOYSA-N,C33H52O2,480.8,480.3967309,13,40.5,461,0,2,2,18,35,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, N-methyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-, hydrochloride",10488-36-5,23725051,N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCNC.Cl,"InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H",YAXWIYFUVISXRS-UHFFFAOYSA-N,C17H22ClNO,291.8,291.138992,,21.3,237,0,2,2,6,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Benzilic acid, hydrazide",13050-38-9,95968,"2-hydroxy-2,2-diphenylacetohydrazide",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN)O,"InChI=1S/C14H14N2O2/c15-16-13(17)14(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H,15H2,(H,16,17)",CAHGPINWWFMBKO-UHFFFAOYSA-N,C14H14N2O2,242.27,242.1055277,1.3,75.4,264,0,3,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-, N-oxide, hydrochloride",13168-00-8,131872116,"2-benzhydryloxy-N,N-dimethylethanamine oxide;hydrochloride",C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-].Cl,"InChI=1S/C17H21NO2.ClH/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H",JWWPHMSWVFMLIF-UHFFFAOYSA-N,C17H22ClNO2,307.8,307.1339066,,27.3,250,0,1,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 2-((p-bromo-alpha-methyl-alpha-phenylbenzyl)oxy)-N,N-dimethyl-, hydrochloride",13977-28-1,13059512,"2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride",CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)OCCN(C)C.Cl,"InChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H",JUOZATSMKDYYGH-UHFFFAOYSA-N,C18H23BrClNO,384.7,383.06515,,12.5,296,0,1,2,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 2,2'-methylenebis(6-bromo-4-chloro-",15435-29-7,84907,2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol,C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)Br)O)O)Br)Cl,"InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2",TYBHZVUFOINFDV-UHFFFAOYSA-N,C13H8Br2Cl2O2,426.9,425.82476,5.8,40.5,280,0,2,2,2,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2,2-diphenylthio-",17518-50-2,2734828,"2,2-diphenylethanethioamide",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=S)N,"InChI=1S/C14H13NS/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,15,16)",QMAWTTMRRXVHNI-UHFFFAOYSA-N,C14H13NS,227.33,227.0768706,3,58.1,209,0,1,1,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, N,N-dimethyl-2-(phenyl-(m-tolyl)methoxy)-, hydrochloride",17630-53-4,28655,dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride,CC1=CC(=CC=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.[Cl-],"InChI=1S/C18H23NO.ClH/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16;/h4-11,14,18H,12-13H2,1-3H3;1H",JYZPVFDNYWNWHP-UHFFFAOYSA-N,C18H24ClNO,305.8,305.1546421,,13.7,260,0,1,2,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzilic acid, 4,4'-dibromo-, isopropyl ester",18181-80-1,28936,"propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate",CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O,"InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3",FOANIXZHAMJWOI-UHFFFAOYSA-N,C17H16Br2O3,428.1,427.94457,4.8,46.5,348,0,1,3,5,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-Methylenebis(2-ethyl-6-methylaniline)",19900-72-2,155611,4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline,CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N)CC)C)N,"InChI=1S/C19H26N2/c1-5-16-10-14(7-12(3)18(16)20)9-15-8-13(4)19(21)17(6-2)11-15/h7-8,10-11H,5-6,9,20-21H2,1-4H3",QJENIOQDYXRGLF-UHFFFAOYSA-N,C19H26N2,282.4,282.2095988,4.8,52,287,0,2,2,4,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, diphenylmethoxy-",21409-25-6,597513,2-benzhydryloxyacetic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)O,"InChI=1S/C15H14O3/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)",KWGQOJWITMQEOT-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,2.9,46.5,234,0,1,3,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-methyl-4,4'-methylenedi-",26628-67-1,33559,4-[[4-(methylamino)phenyl]methyl]aniline,CNC1=CC=C(C=C1)CC2=CC=C(C=C2)N,"InChI=1S/C14H16N2/c1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11/h2-9,16H,10,15H2,1H3",DEAOXXGXJLMFAS-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,2.3,38.1,189,0,2,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,2'-methylenebis(4-amino-, hydrochloride (1:2)",27311-52-0,21889084,4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol;dihydrochloride,C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O.Cl.Cl,"InChI=1S/C13H14N2O2.2ClH/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5,14-15H2;2*1H",WKERZZAEPVPFPO-UHFFFAOYSA-N,C13H16Cl2N2O2,303.18,302.0588831,,92.5,226,0,6,4,2,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Propane, 1,3-dichloro-2,2-bis(4-methoxy-3-methylphenyl)-",30668-06-5,417357,"4-[1,3-dichloro-2-(4-methoxy-3-methylphenyl)propan-2-yl]-1-methoxy-2-methylbenzene",CC1=C(C=CC(=C1)C(CCl)(CCl)C2=CC(=C(C=C2)OC)C)OC,"InChI=1S/C19H22Cl2O2/c1-13-9-15(5-7-17(13)22-3)19(11-20,12-21)16-6-8-18(23-4)14(2)10-16/h5-10H,11-12H2,1-4H3",GUOLCWNTYYOCQT-UHFFFAOYSA-N,C19H22Cl2O2,353.3,352.0996853,5.5,18.5,329,0,0,2,6,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,2'-(2-methylpropylidene)bis(4,6-dimethyl-",33145-10-7,94446,"2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol",CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C(C)C)O)C,"InChI=1S/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3",SZAQZZKNQILGPU-UHFFFAOYSA-N,C20H26O2,298.4,298.1932801,5.7,40.5,324,0,2,2,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,2'-ethylidenebis(4,6-bis(1,1-dimethylethyl)-",35958-30-6,118899,"2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol",CC(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3",DXCHWXWXYPEZKM-UHFFFAOYSA-N,C30H46O2,438.7,438.3497807,10.1,40.5,555,0,2,2,6,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-",37693-01-9,2799,"2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3",HQVZOORKDNCGCK-UHFFFAOYSA-N,C21H26Cl2O,365.3,364.1360708,8.1,20.2,401,0,1,1,5,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4,4'-methylenebis(2,3-dichloro-",42240-73-3,148445,"4-[(4-amino-2,3-dichlorophenyl)methyl]-2,3-dichloroaniline",C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)N)Cl)Cl)Cl)Cl)N,"InChI=1S/C13H10Cl4N2/c14-10-6(1-3-8(18)12(10)16)5-7-2-4-9(19)13(17)11(7)15/h1-4H,5,18-19H2",PPUHQXZSLCCTAN-UHFFFAOYSA-N,C13H10Cl4N2,336,335.956859,5,52,276,0,2,2,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediol, 1,1-diphenyl-",52183-00-3,2748265,"1,1-diphenylpropane-1,2-diol",CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O,"InChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3",RQKXFLUAQLDHMO-UHFFFAOYSA-N,C15H16O2,228.29,228.1150297,2.3,40.5,209,0,2,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-(diphenylmethoxy)-N-methyl-, hydrochloride",53499-40-4,45926626,2-benzhydryloxy-N-methylethanamine;hydrochloride,CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,"InChI=1S/C16H19NO.ClH/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16-17H,12-13H2,1H3;1H",OARUOQLHKTZEIM-UHFFFAOYSA-N,C16H20ClNO,277.79,277.123342,,21.3,189,0,2,2,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzenemethanol, 4-(2-(diethylamino)ethoxy)-alpha-ethyl-alpha-phenyl-",56431-20-0,162798,1-[4-[2-(diethylamino)ethoxy]phenyl]-1-phenylpropan-1-ol,CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCCN(CC)CC)O,"InChI=1S/C21H29NO2/c1-4-21(23,18-10-8-7-9-11-18)19-12-14-20(15-13-19)24-17-16-22(5-2)6-3/h7-15,23H,4-6,16-17H2,1-3H3",STSAFCZWSFWXJC-UHFFFAOYSA-N,C21H29NO2,327.5,327.2198292,4.2,32.7,331,0,1,3,9,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-((diphenylmethyl)sulfinyl)-N-hydroxy-",63547-13-7,3033226,2-benzhydrylsulfinyl-N-hydroxyacetamide,C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NO,"InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)",CGNMLOKEMNBUAI-UHFFFAOYSA-N,C15H15NO3S,289.4,289.0772645,1.6,85.6,318,0,2,4,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, p-benzyl-",67468-65-9,49886,4-benzylbenzaldehyde,C1=CC=C(C=C1)CC2=CC=C(C=C2)C=O,"InChI=1S/C14H12O/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2",DHARILAASAAGJJ-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.3,17.1,186,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetonitrile, (p-aminophenyl)(p-tolyl)-, hydrochloride",73663-77-1,24190193,2-(4-aminophenyl)-2-(4-methylphenyl)acetonitrile;hydrochloride,CC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N.Cl,"InChI=1S/C15H14N2.ClH/c1-11-2-4-12(5-3-11)15(10-16)13-6-8-14(17)9-7-13;/h2-9,15H,17H2,1H3;1H",UXWNAZIHSFDGKA-UHFFFAOYSA-N,C15H15ClN2,258.74,258.0923762,,49.8,275,0,2,2,2,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N,N'-(methylenebis(2-chloro-4,1-phenylene))bis-",91575-29-0,150346,N-[4-[(4-acetamido-3-chlorophenyl)methyl]-2-chlorophenyl]acetamide,CC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C)Cl)Cl,"InChI=1S/C17H16Cl2N2O2/c1-10(22)20-16-5-3-12(8-14(16)18)7-13-4-6-17(15(19)9-13)21-11(2)23/h3-6,8-9H,7H2,1-2H3,(H,20,22)(H,21,23)",ULXWIWCUCFCRSI-UHFFFAOYSA-N,C17H16Cl2N2O2,351.2,350.0588831,3.5,58.2,395,0,2,2,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 2,2-bis(p-methoxyphenyl)-1,3-dichloro-",102612-70-4,417356,"1-[1,3-dichloro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene",COC1=CC=C(C=C1)C(CCl)(CCl)C2=CC=C(C=C2)OC,"InChI=1S/C17H18Cl2O2/c1-20-15-7-3-13(4-8-15)17(11-18,12-19)14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3",WBBWJUZPGHRERN-UHFFFAOYSA-N,C17H18Cl2O2,325.2,324.0683852,4.8,18.5,265,0,0,2,6,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-((R)-(diphenylmethyl)sulfinyl)-",112111-43-0,9690109,2-[(R)-benzhydrylsulfinyl]acetamide,C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@](=O)CC(=O)N,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1",YFGHCGITMMYXAQ-LJQANCHMSA-N,C15H15NO2S,273.4,273.0823499,1.7,79.4,302,0,1,3,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-",124937-51-5,443879,2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1",OOGJQPCLVADCPB-HXUWFJFHSA-N,C22H31NO,325.5,325.2405646,5.6,23.5,340,0,1,2,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)",124937-52-6,443878,"(2R,3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol",CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m11/s1",TWHNMSJGYKMTRB-KXYUELECSA-N,C26H37NO7,475.6,475.2570025,,139,474,0,5,8,10,34,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Propanoic acid, 2-methyl-, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl ester",286930-03-8,9849808,(E)-but-2-enedioic acid;[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate,CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-;/m1./s1",MWHXMIASLKXGBU-RNCYCKTQSA-N,C30H41NO7,527.6,527.2883027,,124,609,0,3,8,13,38,,,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Phenethylamine, alpha-methyl-beta-phenyl-, hydrochloride",,3029821,"1,1-diphenylpropan-2-amine;hydrochloride",CC(C(C1=CC=CC=C1)C2=CC=CC=C2)N.Cl,"InChI=1S/C15H17N.ClH/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-12,15H,16H2,1H3;1H",AKFNBTNILUNXAL-UHFFFAOYSA-N,C15H18ClN,247.76,247.1127773,,26,172,0,2,1,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-(alpha-methylbenzyl)-4-methyl-",,95323,4-methyl-2-(1-phenylethyl)phenol,CC1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2,"InChI=1S/C15H16O/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3",DJRYJQNZAYJVGF-UHFFFAOYSA-N,C15H16O,212.29,212.1201151,4.2,20.2,207,0,1,1,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tryptophan, 5-hydroxy-",000056-69-9,144,2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",LDCYZAJDBXYCGN-UHFFFAOYSA-N,C11H12N2O3,220.22,220.0847923,-1.2,99.3,272,0,4,4,3,16,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
3-(2-AMINOPROPYL)INDOLE,000299-26-3,9287,1-(1H-indol-3-yl)propan-2-amine,CC(CC1=CNC2=CC=CC=C21)N,"InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3",QSQQQURBVYWZKJ-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,2,41.8,169,0,2,1,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PSILOCYBIN (CONSTITUENT OF ""MAGIC MUSHROOMS"")+E116",000520-52-5,10624,[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate,CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O,"InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)",QVDSEJDULKLHCG-UHFFFAOYSA-N,C12H17N2O4P,284.25,284.092594,-1.6,85.8,347,0,3,5,5,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-INDOLEBUTYRIC ACID,000133-32-4,8617,4-(1H-indol-3-yl)butanoic acid,C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O,"InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",JTEDVYBZBROSJT-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.3,53.1,230,0,2,2,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYTRYPTAMINE HCL,000153-98-0,160436,3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride,C1=CC2=C(C=C1O)C(=CN2)CCN.Cl,"InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H",MDIGAZPGKJFIAH-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,,62,174,0,4,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRYPTAMINE HYDROCHLORIDE,000343-94-2,67652,2-(1H-indol-3-yl)ethanamine;hydrochloride,C1=CC=C2C(=C1)C(=CN2)CCN.Cl,"InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H",KDFBGNBTTMPNIG-UHFFFAOYSA-N,C10H13ClN2,196.67,196.0767261,,41.8,147,0,3,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-INDOLYLACETONITRILE,000771-51-7,351795,2-(1H-indol-3-yl)acetonitrile,C1=CC=C2C(=C1)C(=CN2)CC#N,"InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2",DMCPFOBLJMLSNX-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.6,39.6,203,0,1,1,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-HYDROXY-L-TRYPTOPHAN,004350-09-8,439280,(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",LDCYZAJDBXYCGN-VIFPVBQESA-N,C11H12N2O3,220.22,220.0847923,-1.2,99.3,272,0,4,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1H-INDOL-3-YL)METHANAMINE,022259-53-6,472107,1H-indol-3-ylmethanamine,C1=CC=C2C(=C1)C(=CN2)CN,"InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2",JXYGLMATGAAIBU-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,0.8,41.8,136,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indol-5-ol, 3-(2-aminoethyl)-",000050-67-9,5202,3-(2-aminoethyl)-1H-indol-5-ol,C1=CC2=C(C=C1O)C(=CN2)CCN,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,0.2,62,174,0,3,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetamide, N-(2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl)-",063762-74-3,1858,N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide,CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl,"InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)",LUINDDOUWHRIPW-UHFFFAOYSA-N,C13H15ClN2O2,266.72,266.0822054,2.2,54.1,301,0,2,2,4,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
5-METHOXY-ALPHA-METHYLTRYPTAMINE HYDROCHLORIDE,034736-04-4,135267,1-(5-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride,CC(CC1=CNC2=C1C=C(C=C2)OC)N.Cl,"InChI=1S/C12H16N2O.ClH/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12;/h3-4,6-8,14H,5,13H2,1-2H3;1H",AOGUIGSAWNQBBG-UHFFFAOYSA-N,C12H17ClN2O,240.73,240.1029409,,51,210,0,3,2,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIISOPROPYLTRYPTAMINE HYDROCHLORIDE",067292-67-5,24802110,N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride,CC(C)N(CCC1=CNC2=CC=CC=C21)C(C)C.Cl,"InChI=1S/C16H24N2.ClH/c1-12(2)18(13(3)4)10-9-14-11-17-16-8-6-5-7-15(14)16;/h5-8,11-13,17H,9-10H2,1-4H3;1H",IRTNRQIBUKDSFV-UHFFFAOYSA-N,C16H25ClN2,280.83,280.1706265,,19,241,0,2,1,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
INDOLE,000120-72-9,798,1H-indole,C1=CC=C2C(=C1)C=CN2,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",SIKJAQJRHWYJAI-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,2.1,15.8,101,0,1,0,0,9,,253 °C @ 762 mm Hg; 128-133 °C @ 28 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLINDOLE,000095-20-5,7224,2-methyl-1H-indole,CC1=CC2=CC=CC=C2N1,"InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3",BHNHHSOHWZKFOX-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.5,15.8,122,0,1,0,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
5-NITROINDOLE,006146-52-7,22523,5-nitro-1H-indole,C1=CC2=C(C=CN2)C=C1[N+](=O)[O-],"InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H",OZFPSOBLQZPIAV-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,2.5,61.6,190,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
4-CYANOINDOLE,016136-52-0,3817602,1H-indole-4-carbonitrile,C1=CC(=C2C=CNC2=C1)C#N,"InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H",CEUFGDDOMXCXFW-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,2.5,39.6,191,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
6-(AMINOMETHYL)INDOLE,003468-17-5,17221101,1H-indol-6-ylmethanamine,C1=CC(=CC2=C1C=CN2)CN,"InChI=1S/C9H10N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6,10H2",FURRUNQWZZOXOT-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,1.8,41.8,136,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1H-INDOL-4-YL)METHANAMINE,003468-18-6,280302,1H-indol-4-ylmethanamine,C1=CC(=C2C=CNC2=C1)CN,"InChI=1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2",FFBWKPKOXRMLNP-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,0.9,41.8,136,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOXYL ACETATE,000608-08-2,11841,1H-indol-3-yl acetate,CC(=O)OC1=CNC2=CC=CC=C21,"InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3",JBOPQACSHPPKEP-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,2,42.1,205,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLEACETIC ACID,000087-51-4,802,2-(1H-indol-3-yl)acetic acid,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",SEOVTRFCIGRIMH-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.4,53.1,205,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLINDOLE",000091-55-4,7053,"2,3-dimethyl-1H-indole",CC1=C(NC2=CC=CC=C12)C,"InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3",PYFVEIDRTLBMHG-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,2.8,15.8,144,0,1,0,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRYPTOPHOL,000526-55-6,10685,2-(1H-indol-3-yl)ethanol,C1=CC=C2C(=C1)C(=CN2)CCO,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",MBBOMCVGYCRMEA-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.8,36,149,0,2,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-CARBOXYLIC ACID,000771-50-6,69867,1H-indole-3-carboxylic acid,C1=CC=C2C(=C1)C(=CN2)C(=O)O,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",KMAKOBLIOCQGJP-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2,53.1,193,0,2,2,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYINDOLE-3-ACETIC ACID,000054-16-0,1826,2-(5-hydroxy-1H-indol-3-yl)acetic acid,C1=CC2=C(C=C1O)C(=CN2)CC(=O)O,"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)",DUUGKQCEGZLZNO-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,1.1,73.3,231,0,3,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXYTRYPTAMINE,000608-07-1,1833,2-(5-methoxy-1H-indol-3-yl)ethanamine,COC1=CC2=C(C=C1)NC=C2CCN,"InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3",JTEJPPKMYBDEMY-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,0.5,51,186,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHOXYINDOLE-3-ACETIC ACID,003471-31-6,18986,2-(5-methoxy-1H-indol-3-yl)acetic acid,COC1=CC2=C(C=C1)NC=C2CC(=O)O,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",COCNDHOPIHDTHK-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,1.4,62.3,244,0,2,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-5-HYDROXYTRYPTAMINE,001210-83-9,903,N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide,CC(=O)NCCC1=CNC2=C1C=C(C=C2)O,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",MVAWJSIDNICKHF-UHFFFAOYSA-N,C12H14N2O2,218.25,218.1055277,0.5,65.1,257,0,3,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-PROPIONIC ACID,000830-96-6,3744,3-(1H-indol-3-yl)propanoic acid,C1=CC=C2C(=C1)C(=CN2)CCC(=O)O,"InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)",GOLXRNDWAUTYKT-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,1.8,53.1,217,0,2,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SEROTONIN HYDROGEN OXALATE,003036-16-6,9943249,3-(2-aminoethyl)-1H-indol-5-ol;oxalic acid,C1=CC2=C(C=C1O)C(=CN2)CCN.C(=O)(C(=O)O)O,"InChI=1S/C10H12N2O.C2H2O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;3-1(4)2(5)6/h1-2,5-6,12-13H,3-4,11H2;(H,3,4)(H,5,6)",VTBOICJSERLVPD-UHFFFAOYSA-N,C12H14N2O5,266.25,266.0902716,,137,246,0,5,6,3,19,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6-HYDROXYMELATONIN,002208-41-5,1864,N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide,CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O,"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)",OMYMRCXOJJZYKE-UHFFFAOYSA-N,C13H16N2O3,248.28,248.1160924,1.2,74.4,298,0,3,3,4,18,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-L-TRYPTOPHAN,001218-34-4,700653,(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid,CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1",DZTHIGRZJZPRDV-LBPRGKRZSA-N,C13H14N2O3,246.26,246.1004423,1.1,82.2,332,0,3,3,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ABRINE,000526-31-8,160511,(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid,CN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O,"InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1",CZCIKBSVHDNIDH-NSHDSACASA-N,C12H14N2O2,218.25,218.1055277,-0.5,65.1,257,0,3,3,4,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOINDOLE,005192-23-4,583431,1H-indol-4-amine,C1=CC(=C2C=CNC2=C1)N,"InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2",LUNUNJFSHKSXGQ-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,2.1,41.8,124,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-(-)-TRYPTOPHANOL,002899-29-8,6951149,(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol,C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N,"InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1",UDQCRUSSQAXPJY-VIFPVBQESA-N,C11H14N2O,190.24,190.1106131,0.9,62,186,0,3,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHOXY-1H-INDOLE-2-CARBOXYLIC ACID,103260-65-7,907248,4-methoxy-1H-indole-2-carboxylic acid,COC1=CC=CC2=C1C=C(N2)C(=O)O,"InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)",ZZAVIQXQBBOHBB-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,1.9,62.3,231,0,2,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-2-CARBOXYLIC ACID,001477-50-5,72899,1H-indole-2-carboxylic acid,C1=CC=C2C(=C1)C=C(N2)C(=O)O,"InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",HCUARRIEZVDMPT-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2.3,53.1,193,0,2,2,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID,000399-68-8,4035579,4-fluoro-1H-indole-2-carboxylic acid,C1=CC2=C(C=C(N2)C(=O)O)C(=C1)F,"InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",KBWWCYDFHITBFO-UHFFFAOYSA-N,C9H6FNO2,179.15,179.0382566,2.4,53.1,222,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUFOTENINE,000487-93-4,10257,3-[2-(dimethylamino)ethyl]-1H-indol-5-ol,CN(C)CCC1=CNC2=C1C=C(C=C2)O,"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",VTTONGPRPXSUTJ-UHFFFAOYSA-N,C12H16N2O,204.27,204.1262631,1.2,39.3,208,0,2,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PSILOCYN (CONSTITUENT OF ""MAGIC MUSHROOMS"")",000520-53-6,4980,3-[2-(dimethylamino)ethyl]-1H-indol-4-ol,CN(C)CCC1=CNC2=C1C(=CC=C2)O,"InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3",SPCIYGNTAMCTRO-UHFFFAOYSA-N,C12H16N2O,204.27,204.1262631,2.1,39.3,208,0,2,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-METHOXY-N,N-DIISOPROPYLTRYPTAMINE",004021-34-5,151182,N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine,CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C,"InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3",DNBPMBJFRRVTSJ-UHFFFAOYSA-N,C17H26N2O,274.4,274.2045135,3.1,28.3,285,0,1,2,6,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1H-INDOL-5-AMINE,005192-03-0,78867,1H-indol-5-amine,C1=CC2=C(C=CN2)C=C1N,"InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2",ZCBIFHNDZBSCEP-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,0.7,41.8,124,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE-3-CARBOXALDEHYDE, 2-METHYL-",005416-80-8,73166,2-methyl-1H-indole-3-carbaldehyde,CC1=C(C2=CC=CC=C2N1)C=O,"InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3",CYZIVXOEJNAIBS-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.9,32.9,181,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOL-3-OL, 5-BROMO-, ACETATE (ESTER)",017357-14-1,87075,(5-bromo-1H-indol-3-yl) acetate,CC(=O)OC1=CNC2=C1C=C(C=C2)Br,"InChI=1S/C10H8BrNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3",KFTGECHXNQBTNZ-UHFFFAOYSA-N,C10H8BrNO2,254.08,252.97384,2.7,42.1,234,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE-3-BUTANOIC ACID, 2-CARBOXY-",031529-29-0,169314,3-(3-carboxypropyl)-1H-indole-2-carboxylic acid,C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CCCC(=O)O,"InChI=1S/C13H13NO4/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18)",IAFOXRHFSQERNU-UHFFFAOYSA-N,C13H13NO4,247.25,247.0844579,2,90.4,331,0,3,4,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE",132328-45-1,21854225,3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol,CC(C)N(CCC1=CNC2=C1C(=CC=C2)O)C(C)C,"InChI=1S/C16H24N2O/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14/h5-7,10-12,17,19H,8-9H2,1-4H3",KBRYKXCBGISXQV-UHFFFAOYSA-N,C16H24N2O,260.37,260.1888634,3.6,39.3,272,0,2,2,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHOXY-N-METHYL-N-ISOPROPYLTRYPTAMINE,096096-55-8,2763156,N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-2-amine,CC(C)N(C)CCC1=CNC2=C1C=C(C=C2)OC,"InChI=1S/C15H22N2O/c1-11(2)17(3)8-7-12-10-16-15-6-5-13(18-4)9-14(12)15/h5-6,9-11,16H,7-8H2,1-4H3",HEDOODBJFVUQMS-UHFFFAOYSA-N,C15H22N2O,246.35,246.1732133,2.3,28.3,257,0,1,2,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-",013523-86-9,4828,1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=CC2=C1C=CN2)O,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",JZQKKSLKJUAGIC-UHFFFAOYSA-N,C14H20N2O2,248.32,248.1524779,1.8,57.3,248,0,3,3,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-D-TRYPTOPHAN,004350-07-6,199528,(2R)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,C1=CC2=C(C=C1O)C(=CN2)C[C@H](C(=O)O)N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1",LDCYZAJDBXYCGN-SECBINFHSA-N,C11H12N2O3,220.22,220.0847923,-1.2,99.3,272,0,4,4,3,16,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GRAMINE,000087-52-5,6890,"1-(1H-indol-3-yl)-N,N-dimethylmethanamine",CN(C)CC1=CNC2=CC=CC=C21,"InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",OCDGBSUVYYVKQZ-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,1.8,19,167,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIMETHYLINDOLE",001196-79-8,70965,"2,5-dimethyl-1H-indole",CC1=CC2=C(C=C1)NC(=C2)C,"InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3",ZFLFWZRPMDXJCW-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,2.9,15.8,144,0,1,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1H-INDOL-2-YLMETHYL)AMINE,021109-25-1,582331,1H-indol-2-ylmethanamine,C1=CC=C2C(=C1)C=C(N2)CN,"InChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6,10H2",RNAODKZCUVVPEN-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,1,41.8,136,0,2,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE-2-CARBOXYLIC ACID, 7-NITRO-",006960-45-8,81409,7-nitro-1H-indole-2-carboxylic acid,C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O,"InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)",BIUCOFQROHIAEO-UHFFFAOYSA-N,C9H6N2O4,206.15,206.0327567,1.7,98.9,288,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
5-HYDROXYINDOLE,001953-54-4,16054,1H-indol-5-ol,C1=CC2=C(C=CN2)C=C1O,"InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H",LMIQERWZRIFWNZ-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,2,36,126,0,2,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLINDOLE,000083-34-1,6736,3-methyl-1H-indole,CC1=CNC2=CC=CC=C12,"InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3",ZFRKQXVRDFCRJG-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.6,15.8,122,0,1,0,0,10,,265-266 °C @ 755 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLINDOLE,000603-76-9,11781,1-methylindole,CN1C=CC2=CC=CC=C21,"InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3",BLRHMMGNCXNXJL-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.7,4.9,122,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRYPTAMINE,000061-54-1,1150,2-(1H-indol-3-yl)ethanamine,C1=CC=C2C(=C1)C(=CN2)CCN,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",APJYDQYYACXCRM-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,1.6,41.8,147,0,2,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-METHYLINDOLE,000933-67-5,70275,7-methyl-1H-indole,CC1=C2C(=CC=C1)C=CN2,"InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3",KGWPHCDTOLQQEP-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.6,15.8,122,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-TRYPTOPHAN,000054-12-6,1148,2-amino-3-(1H-indol-3-yl)propanoic acid,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,-1.1,79.1,245,0,3,3,3,15,,289.00 to 291.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-INDOLEGLYOXYLIC ACID,001477-49-2,73863,2-(1H-indol-3-yl)-2-oxoacetic acid,C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)O,"InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)",DWLVFWDCSFTDOD-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.9,70.2,264,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYLINDOLE,000614-96-0,11978,5-methyl-1H-indole,CC1=CC2=C(C=C1)NC=C2,"InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3",YPKBCLZFIYBSHK-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.7,15.8,122,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-TRYPTOPHAN,000153-94-6,9060,(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",QIVBCDIJIAJPQS-SECBINFHSA-N,C11H12N2O2,204.22,204.0898776,-1.1,79.1,245,0,3,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-L-TRYPTOPHYLGLYCINE,007360-09-0,97054,2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetic acid,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)O)N,"InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1",UYKREHOKELZSPB-JTQLQIEISA-N,C13H15N3O3,261.28,261.1113414,-2.1,108,348,0,4,4,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-CARBINOL,000700-06-1,3712,1H-indol-3-ylmethanol,C1=CC=C2C(=C1)C(=CN2)CO,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",IVYPNXXAYMYVSP-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.1,36,138,0,2,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
INDOLE-3-ALDEHYDE,000487-89-8,10256,1H-indole-3-carbaldehyde,C1=CC=C2C(=C1)C(=CN2)C=O,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",OLNJUISKUQQNIM-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.7,32.9,158,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-3-INDOLEACRYLIC ACID,029953-71-7,5375048,(E)-3-(1H-indol-3-yl)prop-2-enoic acid,C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+",PLVPPLCLBIEYEA-AATRIKPKSA-N,C11H9NO2,187.19,187.0633285,2.2,53.1,250,0,2,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-BUTYRIC ACID POTASSIUM SALT,060096-23-3,23664348,potassium 4-(1H-indol-3-yl)butanoate,C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+],"InChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1",KTWDHJYSJOSTSJ-UHFFFAOYSA-M,C12H12KNO2,241.33,241.0505101,,55.9,235,0,1,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-ACETIC ACID METHYL ESTER,001912-33-0,74706,methyl 2-(1H-indol-3-yl)acetate,COC(=O)CC1=CNC2=CC=CC=C21,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",KTHADMDGDNYQRX-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,1.7,42.1,217,0,1,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLINDOLE-3-CARBOXALDEHYDE,022948-94-3,89915,1-acetylindole-3-carbaldehyde,CC(=O)N1C=C(C2=CC=CC=C21)C=O,"InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",LCJLFGSKHBDOAY-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,1.3,39.1,252,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL L-TRYPTOPHANATE MONOHYDROCHLORIDE,007524-52-9,2734891,methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride,COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N.Cl,"InChI=1S/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/m0./s1",XNFNGGQRDXFYMM-PPHPATTJSA-N,C12H15ClN2O2,254.71,254.0822054,,68.1,257,0,3,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUOROINDOLE-2-CARBOXYLIC ACID,000399-76-8,1820,5-fluoro-1H-indole-2-carboxylic acid,C1=CC2=C(C=C1F)C=C(N2)C(=O)O,"InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",WTXBRZCVLDTWLP-UHFFFAOYSA-N,C9H6FNO2,179.15,179.0382566,2.4,53.1,222,0,2,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-2-INDOLECARBOXYLIC ACID,021598-06-1,88958,5-hydroxy-1H-indole-2-carboxylic acid,C1=CC2=C(C=C1O)C=C(N2)C(=O)O,"InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",BIMHWDJKNOMNLD-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,2,73.3,219,0,3,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLINDOLE,000576-15-8,68470,1-indol-1-ylethanone,CC(=O)N1C=CC2=CC=CC=C21,"InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3",UUCUQJHYUPXDHN-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2.6,22,190,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYLOXYCARBONYLTRYPTOPHAN,013139-14-5,83169,(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O,"InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1",NFVNYBJCJGKVQK-ZDUSSCGKSA-N,C16H20N2O4,304.34,304.1423071,2,91.4,419,0,3,4,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLE-3-PYRUVIC ACID,000392-12-1,803,3-(1H-indol-3-yl)-2-oxopropanoic acid,C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O,"InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)",RSTKLPZEZYGQPY-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,1.3,70.2,277,0,2,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-1H-INDOLE,010075-50-0,24905,5-bromo-1H-indole,C1=CC2=C(C=CN2)C=C1Br,"InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H",VXWVFZFZYXOBTA-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,3,15.8,126,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYL-1H-INDOLE,003420-02-8,137928,6-methyl-1H-indole,CC1=CC2=C(C=C1)C=CN2,"InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3",ONYNOPPOVKYGRS-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,3.3,15.8,122,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BROMO-1H-INDOLE,052415-29-9,676493,6-bromo-1H-indole,C1=CC(=CC2=C1C=CN2)Br,"InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H",MAWGHOPSCKCTPA-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,3.3,15.8,126,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-BROMOINDOLE,051417-51-7,2757020,7-bromo-1H-indole,C1=CC2=C(C(=C1)Br)NC=C2,"InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H",RDSVSEFWZUWZHW-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,3.5,15.8,126,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROINDOLE,004769-97-5,145766,4-nitro-1H-indole,C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-],"InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H",LAVZKLJDKGRZJG-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,2.6,61.6,190,0,1,2,0,12,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOINDOLE,052488-36-5,676494,4-bromo-1H-indole,C1=CC2=C(C=CN2)C(=C1)Br,"InChI=1S/C8H6BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H",GRJZJFUBQYULKL-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,3.4,15.8,126,0,1,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-INDOLE-7-CARBOXYLIC ACID,001670-83-3,74281,1H-indole-7-carboxylic acid,C1=CC2=C(C(=C1)C(=O)O)NC=C2,"InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)",IPDOBVFESNNYEE-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2.3,53.1,193,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanedioic acid, compd. with 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-",103628-48-4,59772,butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O,"InChI=1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)",PORMUFZNYQJOEI-UHFFFAOYSA-N,C18H27N3O6S,413.5,413.1620568,,148,498,0,4,8,9,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
1H-INDOLE-2-CARBOXALDEHYDE,019005-93-7,96389,1H-indole-2-carbaldehyde,C1=CC=C2C(=C1)C=C(N2)C=O,"InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H",SBNOTUDDIXOFSN-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2.2,32.9,158,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-[[1-(5-FLUOROPENTYL)-1H-INDOL-3-YL]CARBONYL]-3-METHYL-L-VALINE, METHYL ESTER",1971007-88-1,129597835,"methyl (2S)-2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate",CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF,"InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1",CHSUEEBESACQDV-GOSISDBHSA-N,C21H29FN2O3,376.5,376.216221,4.3,60.3,506,0,1,4,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"5-METHOXY-N,N-DIMETHYLTRYPTAMINE",001019-45-0,1832,"2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine",CN(C)CCC1=CNC2=C1C=C(C=C2)OC,"InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",ZSTKHSQDNIGFLM-UHFFFAOYSA-N,C13H18N2O,218.29,218.1419132,1.5,28.3,220,0,1,2,4,16,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLTRYPTAMINE (DET),000061-51-8,6090,"N,N-diethyl-2-(1H-indol-3-yl)ethanamine",CCN(CC)CCC1=CNC2=CC=CC=C21,"InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3",LSSUMOWDTKZHHT-UHFFFAOYSA-N,C14H20N2,216.32,216.1626486,3.3,19,201,0,1,1,5,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Indole, 3-(2-aminoethyl)-5-methoxy-, hydrochloride",66-83-1,6198,2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride,COC1=CC2=C(C=C1)NC=C2CCN.Cl,"InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H",TXVAYRSEKRMEIF-UHFFFAOYSA-N,C11H15ClN2O,226.7,226.0872908,,51,186,0,3,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 3-(2-amino-2-methylpropyl)-",304-53-0,9353,1-(1H-indol-3-yl)-2-methylpropan-2-amine,CC(C)(CC1=CNC2=CC=CC=C21)N,"InChI=1S/C12H16N2/c1-12(2,13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,14H,7,13H2,1-2H3",WREHPEFXXFJIIJ-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,2.2,41.8,200,0,2,1,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(dimethylamino)methyl-5-fluoro-",343-90-8,9576,"1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine",CN(C)CC1=CNC2=C1C=C(C=C2)F,"InChI=1S/C11H13FN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3",QNCNSISRJMCGPK-UHFFFAOYSA-N,C11H13FN2,192.23,192.1062766,2.5,19,196,0,1,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-Indole-3-thiol,480-94-4,10200,1H-indole-3-thiol,C1=CC=C2C(=C1)C(=CN2)S,"InChI=1S/C8H7NS/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H",LYFRUBQVZGVXPR-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,2.8,16.8,126,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-propanol, beta-amino-",526-53-4,10684,2-amino-3-(1H-indol-3-yl)propan-1-ol,C1=CC=C2C(=C1)C(=CN2)CC(CO)N,"InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2",UDQCRUSSQAXPJY-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,0.9,62,186,0,3,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, indol-3-yl methyl",703-80-0,12802,1-(1H-indol-3-yl)ethanone,CC(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3",VUIMBZIZZFSQEE-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2.1,32.9,190,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminopropyl)-5-fluoro-",712-08-3,12834,1-(5-fluoro-1H-indol-3-yl)propan-2-amine,CC(CC1=CNC2=C1C=C(C=C2)F)N,"InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3",CTGFDWBZMCPVED-UHFFFAOYSA-N,C11H13FN2,192.23,192.1062766,1.1,41.8,198,0,2,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 5-bromo-3-(dimethylamino)methyl-",830-93-3,13249,"1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine",CN(C)CC1=CNC2=C1C=C(C=C2)Br,"InChI=1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3",FSERHDPEOFYMMK-UHFFFAOYSA-N,C11H13BrN2,253.14,252.02621,1.8,19,196,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 5-methoxy-",1006-94-6,13872,5-methoxy-1H-indole,COC1=CC2=C(C=C1)NC=C2,"InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3",DWAQDRSOVMLGRQ-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,2.1,25,138,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminopropyl)-5-chloro-, hydrochloride",1203-99-2,518485,1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride,CC(CC1=CNC2=C1C=C(C=C2)Cl)N.Cl,"InChI=1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H",ZPKPOALZYQCCES-UHFFFAOYSA-N,C11H14Cl2N2,245.14,244.0534038,,41.8,198,0,3,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-Indole-5-carboxamide,1670-87-7,14973220,1H-indole-5-carboxamide,C1=CC2=C(C=CN2)C=C1C(=O)N,"InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)",GQMYQEAXTITUAE-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,0.9,58.9,193,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-acetic acid, 1-methyl-",1912-48-7,254166,2-(1-methylindol-3-yl)acetic acid,CN1C=C(C2=CC=CC=C21)CC(=O)O,"InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)",NAIPEFIYIQFVFC-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,1.5,42.2,229,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 3-hydrazone",2365-44-8,16906,3-diazenyl-1H-indol-2-ol,C1=CC=C2C(=C1)C(=C(N2)O)N=N,"InChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4,9-10,12H",KWSQYVPIKHBAQV-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,2.7,72.2,185,0,3,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1H-Indol-6-ol,2380-86-1,524508,1H-indol-6-ol,C1=CC(=CC2=C1C=CN2)O,"InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H",XAWPKHNOFIWWNZ-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,2.3,36,126,0,2,1,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Indole-3-ethanamine, 5-methoxy-N,N-bis(1-methylethyl)-, hydrochloride",2426-63-3,24802109,N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride,CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C.Cl,"InChI=1S/C17H26N2O.ClH/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17;/h6-7,10-13,18H,8-9H2,1-5H3;1H",QEBJXWFHKCUFLS-UHFFFAOYSA-N,C17H27ClN2O,310.9,310.1811912,,28.3,285,0,2,2,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminoethyl)-7-methoxy-, hydrochloride",4/6/36,17087,2-(7-methoxy-1H-indol-3-yl)ethanamine,COC1=CC=CC2=C1NC=C2CCN,"InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5-6,12H2,1H3",ZUJIGHUQQNOCAM-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,1.3,51,186,0,2,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tryptophan, 5-methoxy-",2504-22-5,151018,(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid,COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N,"InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1",KVNPSKDDJARYKK-JTQLQIEISA-N,C12H14N2O3,234.25,234.1004423,-0.8,88.3,285,0,3,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 3-(2-aminoethyl)-5-fluoro-, hydrochloride",2711-58-2,197774,2-(5-fluoro-1H-indol-3-yl)ethanamine;hydrochloride,C1=CC2=C(C=C1F)C(=CN2)CCN.Cl,"InChI=1S/C10H11FN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H",YZAWADGJXKCLTI-UHFFFAOYSA-N,C10H12ClFN2,214.67,214.0673042,,41.8,174,0,3,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminoethyl)-6-methoxy-, hydrochloride",2736-21-2,2827487,2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride,COC1=CC2=C(C=C1)C(=CN2)CCN.Cl,"InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9;/h2-3,6-7,13H,4-5,12H2,1H3;1H",ANTAOYZCCFNXOG-UHFFFAOYSA-N,C11H15ClN2O,226.7,226.0872908,,51,186,0,3,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indol-5-ol, 3-(2-(dimethylamino)ethyl)-, oxalate",2963-79-3,261945,3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;oxalic acid,CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O,"InChI=1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6)",DYESHNNFAFXIKV-UHFFFAOYSA-N,C14H18N2O5,294.3,294.1215717,,114,279,0,4,6,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-5,6-diol",3131-52-0,114683,"1H-indole-5,6-diol",C1=CNC2=CC(=C(C=C21)O)O,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",SGNZYJXNUURYCH-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,1.3,56.3,151,0,3,2,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 5-amino-3-((dimethylamino)methyl)-",3414-74-2,18891,3-[(dimethylamino)methyl]-1H-indol-5-amine,CN(C)CC1=CNC2=C1C=C(C=C2)N,"InChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3",LXCLCCAAPPKYBS-UHFFFAOYSA-N,C11H15N3,189.26,189.1265975,0.4,45.1,193,0,2,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Indole-2-carboxylic acid, 5-methoxy-",4382-54-1,20401,5-methoxy-1H-indole-2-carboxylic acid,COC1=CC2=C(C=C1)NC(=C2)C(=O)O,"InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",YEBJVSLNUMZXRJ-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,2.3,62.3,231,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-acetyl-5-nitro-",10/2/71,20900,1-(5-nitro-1H-indol-3-yl)ethanone,CC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H8N2O3/c1-6(13)9-5-11-10-3-2-7(12(14)15)4-8(9)10/h2-5,11H,1H3",MKWCZAGQLZTPIE-UHFFFAOYSA-N,C10H8N2O3,204.18,204.0534921,1.9,78.7,287,0,1,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-3-acetic acid, hydrazide",5448-47-5,21589,2-(1H-indol-3-yl)acetohydrazide,C1=CC=C2C(=C1)C(=CN2)CC(=O)NN,"InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)",GYHLCXMCGCVVCG-UHFFFAOYSA-N,C10H11N3O,189.21,189.090212,0.4,70.9,219,0,3,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 7-nitro-",6960-42-5,23396,7-nitro-1H-indole,C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2,"InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H",LZJGQIVWUKFTRD-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,2.6,61.6,190,0,1,2,0,12,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"DL-Tryptophan, 6-fluoro-",7730-20-3,94937,2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid,C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N,"InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)",YMEXGEAJNZRQEH-UHFFFAOYSA-N,C11H11FN2O2,222.22,222.0804558,-0.8,79.1,275,0,3,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-2-carboxylic acid, 5-chloro-",10517-21-2,82693,5-chloro-1H-indole-2-carboxylic acid,C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O,"InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",FUQOTYRCMBZFOL-UHFFFAOYSA-N,C9H6ClNO2,195.6,195.0087061,2.9,53.1,222,0,2,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminoethyl)-7-methyl-",14490-05-2,26714,2-(7-methyl-1H-indol-3-yl)ethanamine,CC1=C2C(=CC=C1)C(=CN2)CCN,"InChI=1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3",SGGBZKQTWMKXHD-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,1.7,41.8,169,0,2,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-3-carboxylic acid, hydrazide",15317-58-5,27199,1H-indole-3-carbohydrazide,C1=CC=C2C(=C1)C(=CN2)C(=O)NN,"InChI=1S/C9H9N3O/c10-12-9(13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,10H2,(H,12,13)",QHUYDKZSGDJDSC-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1,70.9,207,0,3,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(3-aminobutyl)-",15467-30-8,27302,4-(1H-indol-3-yl)butan-2-amine,CC(CCC1=CNC2=CC=CC=C21)N,"InChI=1S/C12H16N2/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3",FEIOENIFHULYLW-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,2.3,41.8,181,0,2,1,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester",15574-49-9,616236,"ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate",CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C,"InChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3",YTBNTDMBGXAOCG-UHFFFAOYSA-N,C13H15NO3,233.26,233.1051933,2.3,51.5,294,0,1,3,3,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Indole-5-carbonitrile,15861-24-2,27513,1H-indole-5-carbonitrile,C1=CC2=C(C=CN2)C=C1C#N,"InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H",YHYLDEVWYOFIJK-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,2.4,39.6,191,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-2-carboxylic acid, 1-methyl-",16136-58-6,27695,1-methylindole-2-carboxylic acid,CN1C2=CC=CC=C2C=C1C(=O)O,"InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)",MAHAMBLNIDMREX-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,2,42.2,217,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-Tryptophan, 4-hydroxy-",16533-77-0,589768,2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid,C1=CC2=C(C(=C1)O)C(=CN2)CC(C(=O)O)N,"InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)",QSHLMQDRPXXYEE-UHFFFAOYSA-N,C11H12N2O3,220.22,220.0847923,-1.5,99.3,272,0,4,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-((dimethylamino)methyl)-5-methoxy-",16620-52-3,27965,"1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine",CN(C)CC1=CNC2=C1C=C(C=C2)OC,"InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3",GOERTRUXQHDLHC-UHFFFAOYSA-N,C12H16N2O,204.27,204.1262631,1.9,28.3,208,0,1,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Indole-5-carbonitrile, 3-formyl-",17380-18-6,28504,3-formyl-1H-indole-5-carbonitrile,C1=CC2=C(C=C1C#N)C(=CN2)C=O,"InChI=1S/C10H6N2O/c11-4-7-1-2-10-9(3-7)8(6-13)5-12-10/h1-3,5-6,12H",NVBCFOQYDFKXJJ-UHFFFAOYSA-N,C10H6N2O,170.17,170.0480128,1.4,56.7,255,0,1,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Indole, 3-(4-aminobutyl)-, monohydrochloride",18237-16-6,53439494,4-(1H-indol-3-yl)butan-1-amine;hydrochloride,C1=CC=C2C(=C1)C(=CN2)CCCCN.Cl,"InChI=1S/C12H16N2.ClH/c13-8-4-3-5-10-9-14-12-7-2-1-6-11(10)12;/h1-2,6-7,9,14H,3-5,8,13H2;1H",AHHHOBNHYBEDSQ-UHFFFAOYSA-N,C12H17ClN2,224.73,224.1080262,,41.8,170,0,3,1,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-(dimethylamino)ethyl)-5-methyl-",22120-39-4,1837,"N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine",CC1=CC2=C(C=C1)NC=C2CCN(C)C,"InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3",NCGJLYBZSJSCIC-UHFFFAOYSA-N,C13H18N2,202.3,202.1469986,2.4,19,203,0,1,1,3,15,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 5-(dimethylamino)-3-(piperidinoacetyl)-",24955-83-7,32750,3-(dimethylamino)-1-(1H-indol-3-yl)propan-1-one,CN(C)CCC(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C13H16N2O/c1-15(2)8-7-13(16)11-9-14-12-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3",LAHVNBMMXFLOQD-UHFFFAOYSA-N,C13H16N2O,216.28,216.1262631,2,36.1,252,0,1,2,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-aminoethyl)-4-methoxy-, hydrochloride",26579-75-9,56832390,2-(4-methoxy-1H-indol-3-yl)ethanamine;hydrochloride,COC1=CC=CC2=C1C(=CN2)CCN.Cl,"InChI=1S/C11H14N2O.ClH/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9;/h2-4,7,13H,5-6,12H2,1H3;1H",ITEWSUFLHSFXSI-UHFFFAOYSA-N,C11H15ClN2O,226.7,226.0872908,,51,186,0,3,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-3-glyoxylamide, N,N-dimethyl-",29095-44-1,34471,"2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide",CN(C)C(=O)C(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C12H12N2O2/c1-14(2)12(16)11(15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3",FIUGYEVWNQNDDO-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,1.8,53.2,301,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(dimethylaminoacetyl)-",30256-72-5,34863,2-(dimethylamino)-1-(1H-indol-3-yl)ethanone,CN(C)CC(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C12H14N2O/c1-14(2)8-12(15)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,8H2,1-2H3",HEQAZZLMFKEHFY-UHFFFAOYSA-N,C12H14N2O,202.25,202.1106131,2.1,36.1,240,0,1,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(7-aminoheptyl)-, adipate (1:1)",31699-74-8,35873,6-hydroxy-6-oxohexanoate;7-(1H-indol-3-yl)heptylazanium,C1=CC=C2C(=C1)C(=CN2)CCCCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O,"InChI=1S/C15H22N2.C6H10O4/c16-11-7-3-1-2-4-8-13-12-17-15-10-6-5-9-14(13)15;7-5(8)3-1-2-4-6(9)10/h5-6,9-10,12,17H,1-4,7-8,11,16H2;1-4H2,(H,7,8)(H,9,10)",BUCCWJVHRMOFRV-UHFFFAOYSA-N,C21H32N2O4,376.5,376.2362075,,121,329,0,3,4,11,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 2,3-dimethyl-7-nitro-",41018-86-4,38742,"2,3-dimethyl-7-nitro-1H-indole",CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C,"InChI=1S/C10H10N2O2/c1-6-7(2)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3",ONCCVOJTXZBTDY-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,2.6,61.6,239,0,1,2,0,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-ethanol, 7-ethyl-",41340-36-7,198231,2-(7-ethyl-1H-indol-3-yl)ethanol,CCC1=C2C(=CC=C1)C(=CN2)CCO,"InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3",UVSDNCAZVSQJQA-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2.4,36,183,0,2,1,3,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Ketone, indol-5-yl methyl",53330-94-2,40732,1-(1H-indol-5-yl)ethanone,CC(=O)C1=CC2=C(C=C1)NC=C2,"InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3",GOFIUEUUROFVMA-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2,32.9,190,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-3-glyoxylamide, N-ethyl-",55654-69-8,41500,N-ethyl-2-(1H-indol-3-yl)-2-oxoacetamide,CCNC(=O)C(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C12H12N2O2/c1-2-13-12(16)11(15)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,2H2,1H3,(H,13,16)",WHDXKEGUQIBSNS-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,2,62,291,0,2,2,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, indol-1-yl ethyl",73747-53-2,52373,1-indol-1-ylpropan-1-one,CCC(=O)N1C=CC2=CC=CC=C21,"InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3",XBYKGSPCVQTMGF-UHFFFAOYSA-N,C11H11NO,173.21,173.084064,3.1,22,202,0,0,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indol-5-ol, 3-(2-aminoethyl)-2-methyl-, (2Z)-2-butenedioate, salt (1:1)",78263-90-8,1574,3-(2-aminoethyl)-2-methyl-1H-indol-5-ol,CC1=C(C2=C(N1)C=CC(=C2)O)CCN,"InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3",WYWNEDARFVJQSG-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,1.4,62,198,0,3,2,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-6-carboxylic acid, 2-pentadecyl-",81364-41-2,595230,1H-indole-6-carboxylic acid,C1=CC(=CC2=C1C=CN2)C(=O)O,"InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)",GHTDODSYDCPOCW-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2.1,53.1,193,0,2,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-5-carboxylic acid, 2-pentadecyl-",81364-43-4,74280,1H-indole-5-carboxylic acid,C1=CC2=C(C=CN2)C=C1C(=O)O,"InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)",IENZCGNHSIMFJE-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.5,53.1,193,0,2,2,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-4-carboxylic acid, 2-pentadecyl-",81364-45-6,595229,1H-indole-4-carboxylic acid,C1=CC(=C2C=CNC2=C1)C(=O)O,"InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)",ROGHUJUFCRFUSO-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.3,53.1,193,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 5-(aminomethyl)-",81881-74-5,54791,1H-indol-5-ylmethanamine,C1=CC2=C(C=CN2)C=C1CN,"InChI=1S/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2",UAYYSAPJTRVEQA-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,1.2,41.8,136,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-((diethylamino)acetyl)-",92292-25-6,56375,2-(diethylamino)-1-(1H-indol-3-yl)ethanone,CCN(CC)CC(=O)C1=CNC2=CC=CC=C21,"InChI=1S/C14H18N2O/c1-3-16(4-2)10-14(17)12-9-15-13-8-6-5-7-11(12)13/h5-9,15H,3-4,10H2,1-2H3",KEFPCGXODAAGLR-UHFFFAOYSA-N,C14H18N2O,230.31,230.1419132,2.9,36.1,263,0,1,2,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl-",103628-46-2,5358,1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3",KQKPFRSPSRPDEB-UHFFFAOYSA-N,C14H21N3O2S,295.4,295.1354481,0.9,73.6,405,0,2,4,6,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indole-5-carboxamide, 3-(2-aminoethyl)-, (2Z)-2-butenedioate (1:1)",118202-69-0,11709509,3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid,C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-",PZQZSWAOVAMBQM-BTJKTKAUSA-N,C15H17N3O5,319.31,319.1168207,,160,363,0,5,6,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-propanamide, alpha-amino-N-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)-,monohydrochloride",135528-20-0,351791,3-(1H-indol-3-yl)propanamide,C1=CC=C2C(=C1)C(=CN2)CCC(=O)N,"InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)",OTVHXWFANORBAK-UHFFFAOYSA-N,C11H12N2O,188.23,188.094963,1.1,58.9,217,0,2,1,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-1-ethanamine, 6-chloro-5-fluoro-alpha-methyl-, (alpha-S)-, (2E)-2-butenedioate (1:1)",169675-09-6,6446435,(E)-but-2-enedioic acid;(2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine,C[C@@H](CN1C=CC2=CC(=C(C=C21)Cl)F)N.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C11H12ClFN2.C4H4O4/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-;/m0./s1",CEPHEXXZGQBXGT-XZTIXWOLSA-N,C15H16ClFN2O4,342.75,342.0782629,,106,346,0,3,6,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Indole-6-carboxamide, 3-(2-chlorophenyl)-1-(2-diethylaminoethyl)-2,3-dihydro-3-hydroxy-2-oxo-4-(trifluoromethyl)-, (3S)-",,594837,1H-indole-6-carboxamide,C1=CC(=CC2=C1C=CN2)C(=O)N,"InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)",KJLFFCRGGGXQKE-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.5,58.9,193,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indol-1-amine, N-methyl-3-phenyl-N-(2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-,hydrochloride",,643221,indol-1-amine,C1=CC=C2C(=C1)C=CN2N,"InChI=1S/C8H8N2/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H,9H2",VUSYGSNEEYEGGX-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,2.5,31,124,0,1,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-1-acetic acid, 2-(4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolylcarbamoyl)-5,7-dimethyl-",,90448,2-indol-1-ylacetic acid,C1=CC=C2C(=C1)C=CN2CC(=O)O,"InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)",WQJFIWXYPKYBTO-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,2.4,42.2,205,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 3-(1-aminoethyl)-, hydrochloride",,24839492,1-(1H-indol-3-yl)ethanamine;hydrochloride,CC(C1=CNC2=CC=CC=C21)N.Cl,"InChI=1S/C10H12N2.ClH/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;/h2-7,12H,11H2,1H3;1H",DUQAWROCHRZBMF-UHFFFAOYSA-N,C10H13ClN2,196.67,196.0767261,,41.8,158,0,3,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole, 3-(2-aminoethyl)-5-propoxy-",,10751317,2-(5-propoxy-1H-indol-3-yl)ethanamine,CCCOC1=CC2=C(C=C1)NC=C2CCN,"InChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3",SXHSCDTUUHPMSY-UHFFFAOYSA-N,C13H18N2O,218.29,218.1419132,1.4,51,210,0,2,2,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-",,230282,1H-indole-3-carbonitrile,C1=CC=C2C(=C1)C(=CN2)C#N,"InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H",CHIFTAQVXHNVRW-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,2.3,39.6,191,0,1,1,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-6-carboxaldehyde, 2,3-dihydro-1-(2,6-dichlorophenyl)-3-(hydroxymethylene)-2-oxo-,sodium salt",,2773435,1H-indole-6-carbaldehyde,C1=CC(=CC2=C1C=CN2)C=O,"InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H",VSPBWOAEHQDXRD-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2.1,32.9,158,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Indole-3-carboxamide, 5-chloro-N-(2-(hydroxymethyl)phenyl)-",,2192542,1H-indole-3-carboxamide,C1=CC=C2C(=C1)C(=CN2)C(=O)N,"InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)",LSGKMZLPZFPAIN-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.3,58.9,193,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-1-ethanamine, 6-chloro-5-fluoro-alpha-methyl-, (alpha-S)-, hydrochloride",,258690,2-indol-1-ylethanamine,C1=CC=C2C(=C1)C=CN2CCN,"InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2",BXEFQUSYBZYTAE-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,1.7,31,147,0,1,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-2-propanoic acid, beta-(aminomethyl)-",,13154044,3-(1H-indol-2-yl)propanoic acid,C1=CC=C2C(=C1)C=C(N2)CCC(=O)O,"InChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14)",HLSMPONBWJBOKA-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,1.9,53.1,217,0,2,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indol-5-ol, 3-(2-aminopropyl)-",,2107,3-(2-aminopropyl)-1H-indol-5-ol,CC(CC1=CNC2=C1C=C(C=C2)O)N,"InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3",LYPCGXKCQDYTFV-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,0.6,62,198,0,3,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Indolol, 5-bromo-2-(9-chloro-3-hydroxynaphtho(1,2-b)thien-2-yl)-, bis(hydrogen sulfate),disodium salt",,50591,1H-indol-3-ol,C1=CC=C2C(=C1)C(=CN2)O,"InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H",PCKPVGOLPKLUHR-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,2.2,36,126,0,2,1,0,10,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-(TRIMETHYLSILYL)IMIDAZOLE,018156-74-6,28925,imidazol-1-yl(trimethyl)silane,C[Si](C)(C)N1C=CN=C1,"InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3",YKFRUJSEPGHZFJ-UHFFFAOYSA-N,C6H12N2Si,140.26,140.0769749,,17.8,97,0,0,1,1,9,,,1,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,1
N-TRIFLUOROACETYLIMIDAZOLE,001546-79-8,73767,"2,2,2-trifluoro-1-imidazol-1-ylethanone",C1=CN(C=N1)C(=O)C(F)(F)F,"InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H",SINBGNJPYWNUQI-UHFFFAOYSA-N,C5H3F3N2O,164.09,164.0197472,0.8,34.9,168,0,0,5,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-TRIBROMOIMIDAZOLE",002034-22-2,16253,"2,4,5-tribromo-1H-imidazole",C1(=C(N=C(N1)Br)Br)Br,"InChI=1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)",JCGGPCDDFXIVQB-UHFFFAOYSA-N,C3HBr3N2,304.77,303.76694,2,28.7,88,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROIMIDAZOLE,000527-73-1,10701,2-nitro-1H-imidazole,C1=CN=C(N1)[N+](=O)[O-],"InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)",YZEUHQHUFTYLPH-UHFFFAOYSA-N,C3H3N3O2,113.08,113.0225263,0.1,74.5,99,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HISTAMINE,000051-45-6,774,2-(1H-imidazol-5-yl)ethanamine,C1=C(NC=N1)CCN,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM-UHFFFAOYSA-N,C5H9N3,111.15,111.0796473,-0.7,54.7,64,0,2,2,2,8,,209-210 °C @ 18 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
4-BROMO-1H-IMIDAZOLE,002302-25-2,96125,5-bromo-1H-imidazole,C1=C(NC=N1)Br,"InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)",FHZALEJIENDROK-UHFFFAOYSA-N,C3H3BrN2,146.97,145.94796,1.1,28.7,48,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-PROPANENITRILE, 2-UNDECYL-",023996-16-9,90326,3-(2-undecylimidazol-1-yl)propanenitrile,CCCCCCCCCCCC1=NC=CN1CCC#N,"InChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3",SZUPZARBRLCVCB-UHFFFAOYSA-N,C17H29N3,275.4,275.2361479,5.2,41.6,269,0,0,2,12,20,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLE-1-PROPANENITRILE, 2-ETHYL-4-METHYL-",023996-25-0,90327,3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile,CCC1=NC(=CN1CCC#N)C,"InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3",UIDDPPKZYZTEGS-UHFFFAOYSA-N,C9H13N3,163.22,163.1109474,0.9,41.6,181,0,0,2,3,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(1H-IMIDAZOL-1-YL)ACETONITRILE,098873-55-3,11804695,2-imidazol-1-ylacetonitrile,C1=CN(C=N1)CC#N,"InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2",ZPGCVVBPGQJSPX-UHFFFAOYSA-N,C5H5N3,107.11,107.0483472,-0.1,41.6,112,0,0,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METRONIDAZOLE,000443-48-1,4173,2-(2-methyl-5-nitroimidazol-1-yl)ethanol,CC1=NC=C(N1CCO)[N+](=O)[O-],"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC-UHFFFAOYSA-N,C6H9N3O3,171.15,171.0643912,0,83.9,170,0,1,4,2,12,,,0,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0
1-METHYLIMIDAZOLE,000616-47-7,1390,1-methylimidazole,CN1C=CN=C1,"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3",MCTWTZJPVLRJOU-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,-0.1,17.8,44,0,0,1,0,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-(3-AMINOPROPYL)IMIDAZOLE,005036-48-6,78736,3-imidazol-1-ylpropan-1-amine,C1=CN(C=N1)CCCN,"InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2",KDHWOCLBMVSZPG-UHFFFAOYSA-N,C6H11N3,125.17,125.0952974,-0.6,43.8,74,0,1,2,3,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-ALLYLIMIDAZOLE,031410-01-2,35794,1-prop-2-enylimidazole,C=CCN1C=CN=C1,"InChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2",XLXCHZCQTCBUOX-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.7,17.8,80,0,0,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,5-DICYANOIMIDAZOLE",001122-28-7,70729,"1H-imidazole-4,5-dicarbonitrile",C1=NC(=C(N1)C#N)C#N,"InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)",XGDRLCRGKUCBQL-UHFFFAOYSA-N,C5H2N4,118.1,118.0279461,0.2,76.3,191,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIMETHYLIMIDAZOLE",001739-84-0,15617,"1,2-dimethylimidazole",CC1=NC=CN1C,"InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3",GIWQSPITLQVMSG-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.4,17.8,63,0,0,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,4,5-TETRAMETHYLIMIDAZOLE",001739-83-9,74444,"1,2,4,5-tetramethylimidazole",CC1=C(N(C(=N1)C)C)C,InChI=1S/C7H12N2/c1-5-6(2)9(4)7(3)8-5/h1-4H3,WLUJHMKCLOIRSK-UHFFFAOYSA-N,C7H12N2,124.18,124.1000484,1.2,17.8,103,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHYLIMIDAZOLE,001072-62-4,66130,2-ethyl-1H-imidazole,CCC1=NC=CN1,"InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)",PQAMFDRRWURCFQ-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.9,28.7,54,0,1,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PROPYLIMIDAZOLE,050995-95-4,162617,2-propyl-1H-imidazole,CCCC1=NC=CN1,"InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)",MKBBSFGKFMQPPC-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,1.3,28.7,63,0,1,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ETHYLIMIDAZOLE,007098-07-9,81540,1-ethylimidazole,CCN1C=CN=C1,"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3",IWDFHWZHHOSSGR-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.3,17.8,54,0,0,1,1,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-METHYL-1H-IMIDAZOLE-1-ETHANOL,037788-55-9,109233,1-imidazol-1-ylpropan-2-ol,CC(CN1C=CN=C1)O,"InChI=1S/C6H10N2O/c1-6(9)4-8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3",WCDFMPVITAWTGR-UHFFFAOYSA-N,C6H10N2O,126.16,126.0793129,-0.3,38.1,87,0,1,2,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(3-IMIDAZOL-1-YL-PROPYL)-METHYL-AMINE,112086-54-1,15034982,3-imidazol-1-yl-N-methylpropan-1-amine,CNCCCN1C=CN=C1,"InChI=1S/C7H13N3/c1-8-3-2-5-10-6-4-9-7-10/h4,6-8H,2-3,5H2,1H3",ZPMDRIAJBDFGCZ-UHFFFAOYSA-N,C7H13N3,139.2,139.1109474,-0.1,29.9,84,0,1,2,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-2-IMIDAZOLEMETHANAMINE,124312-73-8,533842,(1-methylimidazol-2-yl)methanamine,CN1C=CN=C1CN,"InChI=1S/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3",PZSMLGOAJXSDMK-UHFFFAOYSA-N,C5H9N3,111.15,111.0796473,-1.1,43.8,74,0,1,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IMIDAZOLE-D4,006923-01-9,11701027,"1,2,4,5-tetradeuterioimidazole",[2H]C1=C(N(C(=N1)[2H])[2H])[2H],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD",RAXXELZNTBOGNW-MSWVZFBTSA-N,C3H4N2,72.1,72.06255512,-0.1,28.7,28,0,1,1,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
1-METHYLIMIDAZOLE-D6,285978-27-0,11343986,"2,4,5-trideuterio-1-(trideuteriomethyl)imidazole",[2H]C1=C(N(C(=N1)[2H])C([2H])([2H])[2H])[2H],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i1D3,2D,3D,4D",MCTWTZJPVLRJOU-RLTMCGQMSA-N,C4H6N2,88.14,88.09075868,-0.1,17.8,44,0,0,1,0,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYLIMIDAZOLE-D6,1173022-19-9,59638552,"1,4,5-trideuterio-2-(trideuteriomethyl)imidazole",[2H]C1=C(N(C(=N1)C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/i1D3,2D,3D/hD",LXBGSDVWAMZHDD-RSRPWSGMSA-N,C4H6N2,88.14,88.09075868,0.2,28.7,44,0,1,1,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(CHLOROMETHYL)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE,078667-04-6,2795406,2-(chloromethyl)-1-methylimidazole;hydrochloride,CN1C=CN=C1CCl.Cl,"InChI=1S/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H",JDIPKQBKSBWIKU-UHFFFAOYSA-N,C5H8Cl2N2,167.03,166.0064537,,17.8,76,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 2-(1-IMIDAZOLYL)ACETATE,017450-34-9,3798501,ethyl 2-imidazol-1-ylacetate,CCOC(=O)CN1C=CN=C1,"InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3",OITZNDMCFHYWLX-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,0.4,44.1,138,0,0,3,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-ETHANOL, 2-METHYL-",001615-15-2,74169,2-(2-methylimidazol-1-yl)ethanol,CC1=NC=CN1CCO,"InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3",JJWKKSUCSNDHNJ-UHFFFAOYSA-N,C6H10N2O,126.16,126.0793129,-0.3,38.1,87,0,1,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE-4-METHANOL, 5-METHYL-",029636-87-1,122433,(5-methyl-1H-imidazol-4-yl)methanol,CC1=C(N=CN1)CO,"InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)",AXJZCJSXNZZMDU-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,-0.4,48.9,76,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLE, 1-[3-(TRIMETHOXYSILYL)PROPYL]-",070851-51-3,116907,3-imidazol-1-ylpropyl(trimethoxy)silane,CO[Si](CCCN1C=CN=C1)(OC)OC,"InChI=1S/C9H18N2O3Si/c1-12-15(13-2,14-3)8-4-6-11-7-5-10-9-11/h5,7,9H,4,6,8H2,1-3H3",LLIFKTIQXYJAHL-UHFFFAOYSA-N,C9H18N2O3Si,230.34,230.108669,,45.5,170,0,0,4,7,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, MONOHYDRIODIDE",068007-08-9,12203051,1H-imidazole;hydroiodide,C1=CN=CN1.I,"InChI=1S/C3H4N2.HI/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H",JBOIAZWJIACNJF-UHFFFAOYSA-N,C3H5IN2,195.99,195.94975,,28.7,28,0,2,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1H-IMIDAZOLE-1-PROPANOIC ACID, 2,3-DIHYDRO-3-(2-HYDROXYETHYL)-, 2-C4-8-ALKYL D",068815-48-5,2794718,3-imidazol-1-ylpropanoic acid,C1=CN(C=N1)CCC(=O)O,"InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)",VSFNAZLYGOOSEY-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,-0.6,55.1,127,0,1,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HISTIDINE,000071-00-1,6274,(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid,C1=C(NC=N1)C[C@@H](C(=O)O)N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",HNDVDQJCIGZPNO-YFKPBYRVSA-N,C6H9N3O2,155.15,155.0694765,-3.2,92,151,0,3,4,3,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-NITROIMIDAZOLE,003034-38-6,18208,5-nitro-1H-imidazole,C1=C(NC=N1)[N+](=O)[O-],"InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)",VYDWQPKRHOGLPA-UHFFFAOYSA-N,C3H3N3O2,113.08,113.0225263,0,74.5,99,0,1,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-4-NITRO-1-IMIDAZOLEPROPIONIC ACID,016935-04-9,10049869,3-(2-methyl-4-nitroimidazol-1-yl)propanoic acid,CC1=NC(=CN1CCC(=O)O)[N+](=O)[O-],"InChI=1S/C7H9N3O4/c1-5-8-6(10(13)14)4-9(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)",QIJTUXYFQLHGJI-UHFFFAOYSA-N,C7H9N3O4,199.16,199.0593058,-0.4,101,240,0,1,5,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IMIDAZOLE HYDROCHLORIDE,001467-16-9,10197644,1H-imidazole;hydrochloride,C1=CN=CN1.Cl,"InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H",JDIIGWSSTNUWGK-UHFFFAOYSA-N,C3H5ClN2,104.54,104.0141259,,28.7,28,0,2,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-AMINO-1H-IMIDAZOLE-4,5-DICARBONITRILE",040953-34-2,170446,"2-amino-1H-imidazole-4,5-dicarbonitrile",C(#N)C1=C(N=C(N1)N)C#N,"InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)",MLOXIXGLIZLPDP-UHFFFAOYSA-N,C5H3N5,133.11,133.0388451,-0.2,102,217,0,2,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-1H-IMIDAZOLE-2-CARBONITRILE,045515-45-5,10953443,1-methylimidazole-2-carbonitrile,CN1C=CN=C1C#N,"InChI=1S/C5H5N3/c1-8-3-2-7-5(8)4-6/h2-3H,1H3",VUHMRVLSRIYKKU-UHFFFAOYSA-N,C5H5N3,107.11,107.0483472,0.1,41.6,123,0,0,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLIMIDAZOLIUM CHLORIDE,035487-17-3,12196634,1-methylimidazole;hydrochloride,CN1C=CN=C1.Cl,"InChI=1S/C4H6N2.ClH/c1-6-3-2-5-4-6;/h2-4H,1H3;1H",STCBHSHARMAIOM-UHFFFAOYSA-N,C4H7ClN2,118.56,118.0297759,,17.8,44,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BUTEN-2-YL 1H-IMIDAZOLE-1-CARBOXYLATE,141037-05-0,85638710,but-3-en-2-yl imidazole-1-carboxylate,CC(C=C)OC(=O)N1C=CN=C1,"InChI=1S/C8H10N2O2/c1-3-7(2)12-8(11)10-5-4-9-6-10/h3-7H,1H2,2H3",MIGVSMIPNMLWRT-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,1.1,44.1,182,0,0,3,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 2-METHYL-4-NITRO-",000696-23-1,12760,2-methyl-5-nitro-1H-imidazole,CC1=NC=C(N1)[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)",FFYTTYVSDVWNMY-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.3,74.5,121,0,1,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 1-DODECYL-",004303-67-7,78002,1-dodecylimidazole,CCCCCCCCCCCCN1C=CN=C1,"InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3",JMTFLSQHQSFNTE-UHFFFAOYSA-N,C15H28N2,236.4,236.2252489,5.5,17.8,159,0,0,1,11,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-",013551-87-6,26105,1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol,COCC(CN1C=CN=C1[N+](=O)[O-])O,"InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3",OBBCSXFCDPPXOL-UHFFFAOYSA-N,C7H11N3O4,201.18,201.0749558,-0.4,93.1,196,0,1,5,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro-",016773-42-5,28061,1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol,CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-],"InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3",IPWKIXLWTCNBKN-UHFFFAOYSA-N,C7H10ClN3O3,219.62,219.0410689,0.6,83.9,211,0,1,4,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE-1-PROPANENITRILE, 2-METHYL-",023996-55-6,90328,3-(2-methylimidazol-1-yl)propanenitrile,CC1=NC=CN1CCC#N,"InChI=1S/C7H9N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2,5H2,1H3",SESYNEDUKZDRJL-UHFFFAOYSA-N,C7H9N3,135.17,135.0796473,0,41.6,146,0,0,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 1-(2-CHLOROETHYL)-2-METHYL-, MONOHYDROCHLORIDE",071215-95-7,117084,1-(2-chloroethyl)-2-methylimidazole;hydrochloride,CC1=NC=CN1CCCl.Cl,"InChI=1S/C6H9ClN2.ClH/c1-6-8-3-5-9(6)4-2-7;/h3,5H,2,4H2,1H3;1H",ANZFVGZRGNLSBV-UHFFFAOYSA-N,C6H10Cl2N2,181.06,180.0221037,,17.8,87,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 2-cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-1",073785-40-7,52445,3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,"InChI=1S/C10H15N7OS/c1-8-9(15-7-14-8)5-19-4-3-12-10(13-6-11)17(2)16-18/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)",LFTUYYPQNCJQGN-UHFFFAOYSA-N,C10H15N7OS,281.34,281.1058793,0.7,135,366,0,2,6,7,19,,,0,0,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
1-(DIETHOXYMETHYL)IMIDAZOLE,061278-81-7,3849535,1-(diethoxymethyl)imidazole,CCOC(N1C=CN=C1)OCC,"InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3",NNQBAGFIYBBAFL-UHFFFAOYSA-N,C8H14N2O2,170.21,170.1055277,0.6,36.3,116,0,0,3,5,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DACARBAZINE,004342-03-4,135398738,4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide,CN(C)/N=N/C1=C(NC=N1)C(=O)N,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+",FDKXTQMXEQVLRF-ZHACJKMWSA-N,C6H10N6O,182.18,182.091609,-0.6,99.7,215,0,2,5,3,13,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
(1-METHYL-1H-IMIDAZOL-2-YL)ACETONITRILE,003984-53-0,817716,2-(1-methylimidazol-2-yl)acetonitrile,CN1C=CN=C1CC#N,"InChI=1S/C6H7N3/c1-9-5-4-8-6(9)2-3-7/h4-5H,2H2,1H3",FCQJYRPVEODPHA-UHFFFAOYSA-N,C6H7N3,121.14,121.0639972,-0.3,41.6,134,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYL-4-METHYLIMIDAZOLE,000931-36-2,70262,2-ethyl-5-methyl-1H-imidazole,CCC1=NC=C(N1)C,"InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)",ULKLGIFJWFIQFF-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,1.3,28.7,72,0,1,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
IMIDAZOLE,000288-32-4,795,1H-imidazole,C1=CN=CN1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",RAXXELZNTBOGNW-UHFFFAOYSA-N,C3H4N2,68.08,68.03744814,-0.1,28.7,28,0,1,1,0,5,145 °C (293 °F) - closed cup,257 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
IMIDAZOLE HYDROBROMIDE,101023-55-6,12203052,1H-imidazole;hydrobromide,C1=CN=CN1.Br,"InChI=1S/C3H4N2.BrH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H",VWUCIBOKNZGWLX-UHFFFAOYSA-N,C3H5BrN2,148.99,147.96361,,28.7,28,0,2,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-5-nitro-",019387-91-8,5479,1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole,CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C,"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",HJLSLZFTEKNLFI-UHFFFAOYSA-N,C8H13N3O4S,247.27,247.0626771,-0.4,106,345,0,0,5,4,16,,,0,1,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"2,4-DIMETHYL-1H-IMIDAZOLE",000930-62-1,70259,"2,5-dimethyl-1H-imidazole",CC1=CN=C(N1)C,"InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)",LLPKQRMDOFYSGZ-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.9,28.7,63,0,1,1,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HISTAMINE DIHYDROCHLORIDE,000056-92-8,5818,2-(1H-imidazol-5-yl)ethanamine;dihydrochloride,C1=C(NC=N1)CCN.Cl.Cl,"InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H",PPZMYIBUHIPZOS-UHFFFAOYSA-N,C5H11Cl2N3,184.06,183.0330028,,54.7,64,0,4,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
1-BUTYLIMIDAZOLE,004316-42-1,61347,1-butylimidazole,CCCCN1C=CN=C1,"InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3",MCMFEZDRQOJKMN-UHFFFAOYSA-N,C7H12N2,124.18,124.1000484,1.2,17.8,73,0,0,1,3,9,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IMIDAZOLEACETIC ACID,022884-10-2,656129,2-imidazol-1-ylacetic acid,C1=CN(C=N1)CC(=O)O,"InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)",QAFBDRSXXHEXGB-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.3,55.1,116,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIMETIDINE HYDROCHLORIDE,070059-30-2,50963,1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;hydrochloride,CC1=C(N=CN1)CSCCNC(=NC)NC#N.Cl,"InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H",QJHCNBWLPSXHBL-UHFFFAOYSA-N,C10H17ClN6S,288.8,288.0923934,,114,296,0,4,4,7,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
2-(1H-IMIDAZOL-1-YL)ETHANAMINE,005739-10-6,430667,2-imidazol-1-ylethanamine,C1=CN(C=N1)CCN,"InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2",YCIRHAGYEUJTFH-UHFFFAOYSA-N,C5H9N3,111.15,111.0796473,-1,43.8,64,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 1-ETHENYL-2-METHYL-",002851-95-8,76109,1-ethenyl-2-methylimidazole,CC1=NC=CN1C=C,"InChI=1S/C6H8N2/c1-3-8-5-4-7-6(8)2/h3-5H,1H2,2H3",BDHGFCVQWMDIQX-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,1,17.8,90,0,0,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HISTIDINE MONOHYDROCHLORIDE MONOHYDRATE,005934-29-2,165377,(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride,C1=C(NC=N1)C[C@@H](C(=O)O)N.O.Cl,"InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1",CMXXUDSWGMGYLZ-XRIGFGBMSA-N,C6H12ClN3O3,209.63,209.0567189,,93,151,0,5,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINO-5-IMIDAZOLECARBOXAMIDE HYDROCHLORIDE,000072-40-2,66146,4-amino-1H-imidazole-5-carboxamide;hydrochloride,C1=NC(=C(N1)C(=O)N)N.Cl,"InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H",MXCUYSMIELHIQL-UHFFFAOYSA-N,C4H7ClN4O,162.58,162.0308386,,97.8,126,0,4,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-HISTIDINE,000351-50-8,71083,(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid,C1=C(NC=N1)C[C@H](C(=O)O)N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1",HNDVDQJCIGZPNO-RXMQYKEDSA-N,C6H9N3O2,155.15,155.0694765,-3.2,92,151,0,3,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(HEPTAFLUOROBUTYRYL) IMIDAZOLE,032477-35-3,94431,"2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one",C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H",MSYHGYDAVLDKCE-UHFFFAOYSA-N,C7H3F7N2O,264.1,264.0133599,2.4,34.9,314,0,0,9,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5- IMIDAZOLEDICARBOXYLIC ACID",000570-22-9,68442,"1H-imidazole-4,5-dicarboxylic acid",C1=NC(=C(N1)C(=O)O)C(=O)O,"InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)",ZEVWQFWTGHFIDH-UHFFFAOYSA-N,C5H4N2O4,156.1,156.0171066,-0.2,103,193,0,3,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ANSERINE NITRATE,010030-52-1,112071,(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid;nitric acid,CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN.[N+](=O)(O)[O-],"InChI=1S/C10H16N4O3.HNO3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11;2-1(3)4/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17);(H,2,3,4)/t8-;/m0./s1",OLWOKAYJAHHSNY-QRPNPIFTSA-N,C10H17N5O6,303.27,303.1178833,,176,309,0,4,8,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HISTIDINOL DIHYDROCHLORIDE,001596-64-1,197743,(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol;dihydrochloride,C1=C(NC=N1)C[C@@H](CO)N.Cl.Cl,"InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1",FRCAFNBBXRWXQA-XRIGFGBMSA-N,C6H13Cl2N3O,214.09,213.0435674,,74.9,99,0,5,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLIMIDAZOLE,002466-76-4,17174,1-imidazol-1-ylethanone,CC(=O)N1C=CN=C1,"InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3",VIHYIVKEECZGOU-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.3,34.9,103,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYETHYLENE-GRAFT-MALEIC ANHYDRIDE,106343-08-2,16750087,"(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]pentanedioic acid",C1=C(NC=N1)C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)N,"InChI=1S/C20H30N8O9/c21-11(1-3-14(22)29)18(34)24-7-16(31)28-13(5-10-6-23-9-26-10)19(35)25-8-15(30)27-12(20(36)37)2-4-17(32)33/h6,9,11-13H,1-5,7-8,21H2,(H2,22,29)(H,23,26)(H,24,34)(H,25,35)(H,27,30)(H,28,31)(H,32,33)(H,36,37)/t11-,12-,13-/m0/s1",ZDCKGJOKZZOVFP-AVGNSLFASA-N,C20H30N8O9,526.5,526.2135746,-6.7,289,869,0,9,11,17,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-CHLORO-1-METHYL-4-NITROIMIDAZOLE,004897-25-0,21010,5-chloro-1-methyl-4-nitroimidazole,CN1C=NC(=C1Cl)[N+](=O)[O-],"InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3",OSJUNMSWBBOTQU-UHFFFAOYSA-N,C4H4ClN3O2,161.55,160.9992041,0.3,63.6,148,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYL-1H-IMIDAZOLE-1-SULFONAMIDE",078162-58-0,395751,"N,N-dimethylimidazole-1-sulfonamide",CN(C)S(=O)(=O)N1C=CN=C1,"InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3",YRRWNBMOJMMXQY-UHFFFAOYSA-N,C5H9N3O2S,175.21,175.0415477,-0.4,63.6,218,0,0,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-IMIDAZOLE-2-CARBALDEHYDE,010111-08-7,24955,1H-imidazole-2-carbaldehyde,C1=CN=C(N1)C=O,"InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)",XYHKNCXZYYTLRG-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-0.1,45.8,74,0,1,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-IMIDAZOLE-1-ETHANOL,001615-14-1,74168,2-imidazol-1-ylethanol,C1=CN(C=N1)CCO,"InChI=1S/C5H8N2O/c8-4-3-7-2-1-6-5-7/h1-2,5,8H,3-4H2",AMSDWLOANMAILF-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,-0.7,38.1,67,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-1H-IMIDAZOLE-2-CARBOXALDEHYDE,013750-81-7,139575,1-methylimidazole-2-carbaldehyde,CN1C=CN=C1C=O,"InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3",UEBFLTZXUXZPJO-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.2,34.9,94,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-IMIDAZOLE-4-CARBALDEHYDE,003034-50-2,76428,1H-imidazole-5-carbaldehyde,C1=C(NC=N1)C=O,"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",ZQEXIXXJFSQPNA-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-0.1,45.8,74,0,1,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(1H-IMIDAZOL-1-YL)ETHANAMINE DIHYDROCHLORIDE,093668-43-0,12377913,2-imidazol-1-ylethanamine;dihydrochloride,C1=CN(C=N1)CCN.Cl.Cl,"InChI=1S/C5H9N3.2ClH/c6-1-3-8-4-2-7-5-8;;/h2,4-5H,1,3,6H2;2*1H",ZFRZYBZIYLHQTL-UHFFFAOYSA-N,C5H11Cl2N3,184.06,183.0330028,,43.8,64,0,3,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DECYL-2-METHYL-1H-IMIDAZOLE,042032-30-4,2775924,1-decyl-2-methylimidazole,CCCCCCCCCCN1C=CN=C1C,"InChI=1S/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3",BKFRZOZNMWIFLH-UHFFFAOYSA-N,C14H26N2,222.37,222.2095988,4.8,17.8,159,0,0,1,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-((1-METHYLPROPYL)DITHIO)-1H-IMIDAZOLE,141400-58-0,219104,2-(butan-2-yldisulfanyl)-1H-imidazole,CCC(C)SSC1=NC=CN1,"InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)",BPBPYQWMFCTCNG-UHFFFAOYSA-N,C7H12N2S2,188.3,188.0441907,2.3,79.3,111,0,1,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TERT-BUTOXYCARBONYL)-L-HISTIDINE,017791-52-5,87308,(2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)O,"InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1",AYMLQYFMYHISQO-QMMMGPOBSA-N,C11H17N3O4,255.27,255.121906,0.7,104,314,0,3,5,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HISTIDINE METHYL ESTER DIHYDROCHLORIDE,007389-87-9,2723645,methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride,COC(=O)[C@H](CC1=CN=CN1)N.Cl.Cl,"InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1",DWAYENIPKPKKMV-ILKKLZGPSA-N,C7H13Cl2N3O2,242.1,241.0384821,,81,163,0,4,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-4-CARBOXAMIDE, 5-AMINO-",000360-97-4,9679,4-amino-1H-imidazole-5-carboxamide,C1=NC(=C(N1)C(=O)N)N,"InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)",DVNYTAVYBRSTGK-UHFFFAOYSA-N,C4H6N4O,126.12,126.0541608,-0.5,97.8,126,0,3,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DIMETHYL ESTER",003304-70-9,76810,"dimethyl 1H-imidazole-4,5-dicarboxylate",COC(=O)C1=C(N=CN1)C(=O)OC,"InChI=1S/C7H8N2O4/c1-12-6(10)4-5(7(11)13-2)9-3-8-4/h3H,1-2H3,(H,8,9)",CUIWFAXEALIQJS-UHFFFAOYSA-N,C7H8N2O4,184.15,184.0484067,0.4,81.3,219,0,1,5,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 4-METHYL-5-NITRO-",014003-66-8,86278103,4-methyl-5-nitro-1H-imidazole,CC1=C(NC=N1)[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)",WSYOWIMKNNMEMZ-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.2,74.5,121,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 2-UNDECYL-",016731-68-3,85582,2-undecyl-1H-imidazole,CCCCCCCCCCCC1=NC=CN1,"InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)",LLEASVZEQBICSN-UHFFFAOYSA-N,C14H26N2,222.37,222.2095988,5.6,28.7,148,0,1,1,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 1,2-DIMETHYL-5-NITRO-, MONOHYDROCHLORIDE",025332-20-1,91403,"1,2-dimethyl-5-nitroimidazole;hydrochloride",CC1=NC=C(N1C)[N+](=O)[O-].Cl,"InChI=1S/C5H7N3O2.ClH/c1-4-6-3-5(7(4)2)8(9)10;/h3H,1-2H3;1H",UBQLFSIVOXQYEL-UHFFFAOYSA-N,C5H8ClN3O2,177.59,177.0305042,,63.6,144,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 2-(1-METHYLETHYL)-",036947-68-9,123457,2-propan-2-yl-1H-imidazole,CC(C)C1=NC=CN1,"InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)",FUOZJYASZOSONT-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,1.2,28.7,70,0,1,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-METHYL-, ETHYL ESTER",051605-32-4,99200,ethyl 5-methyl-1H-imidazole-4-carboxylate,CCOC(=O)C1=C(NC=N1)C,"InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)",VLDUBDZWWNLZCU-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,1,55,149,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-L-HISTIDINE,015507-76-3,64969,(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid,CN1C=NC=C1C[C@@H](C(=O)O)N,"InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",JDHILDINMRGULE-LURJTMIESA-N,C7H11N3O2,169.18,169.0851266,-3.3,81.1,174,0,2,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-HISTIDINE MONOHYDROCHLORIDE MONOHYDRATE,,15556510,(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride,C1=C(NC=N1)C[C@H](C(=O)O)N.O.Cl,"InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m1../s1",CMXXUDSWGMGYLZ-ZJIMSODOSA-N,C6H12ClN3O3,209.63,209.0567189,,93,151,0,5,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIMETIDINE,051481-61-9,2756,1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine,CC1=C(N=CN1)CSCCNC(=NC)NC#N,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",AQIXAKUUQRKLND-UHFFFAOYSA-N,C10H16N6S,252.34,252.1157157,0.4,114,296,0,3,4,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"1H-IMIDAZOLE, 2-HEPTADECYL-",023328-87-2,90068,2-heptadecyl-1H-imidazole,CCCCCCCCCCCCCCCCCC1=NC=CN1,"InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)",YTWBFUCJVWKCCK-UHFFFAOYSA-N,C20H38N2,306.5,306.3034992,8.8,28.7,218,0,1,1,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
RIBONUCLEASE A,009001-99-4,9369,2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid,C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)",CQOVPNPJLQNMDC-UHFFFAOYSA-N,C9H14N4O3,226.23,226.1065903,-4,121,259,0,4,5,6,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
4-METHYLIMIDAZOLE,000822-36-6,13195,5-methyl-1H-imidazole,CC1=CN=CN1,"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",XLSZMDLNRCVEIJ-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,0.2,28.7,44,0,1,1,0,6,157 °C (315 °F) (closed cup),263 °C,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
1-VINYLIMIDAZOLE,001072-63-5,66171,1-ethenylimidazole,C=CN1C=CN=C1,"InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2",OSSNTDFYBPYIEC-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.5,17.8,70,0,0,1,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
2-METHYLIMIDAZOLE,000693-98-1,12749,2-methyl-1H-imidazole,CC1=NC=CN1,"InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)",LXBGSDVWAMZHDD-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,0.2,28.7,44,0,1,1,0,6,,267 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Imidazole, 4-(1-aminoethyl)-1-methyl-",501-75-7,3614,2-(1-methylimidazol-4-yl)ethanamine,CN1C=C(N=C1)CCN,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3",FHQDWPCFSJMNCT-UHFFFAOYSA-N,C6H11N3,125.17,125.0952974,-0.6,43.8,84,0,1,2,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,1
"Imidazole, 1,2-dimethyl-5-nitro-",551-92-8,3090,"1,2-dimethyl-5-nitroimidazole",CC1=NC=C(N1C)[N+](=O)[O-],"InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3",IBXPYPUJPLLOIN-UHFFFAOYSA-N,C5H7N3O2,141.13,141.0538265,0.1,63.6,144,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
1H-Imidazole-4-acetic acid,645-65-8,96215,2-(1H-imidazol-5-yl)acetic acid,C1=C(NC=N1)CC(=O)O,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)",PRJKNHOMHKJCEJ-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.4,66,116,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-1-ethanol, 2-methyl-4-nitro-",705-19-1,69715,2-(2-methyl-4-nitroimidazol-1-yl)ethanol,CC1=NC(=CN1CCO)[N+](=O)[O-],"InChI=1S/C6H9N3O3/c1-5-7-6(9(11)12)4-8(5)2-3-10/h4,10H,2-3H2,1H3",RSXWJXPKLRYMHW-UHFFFAOYSA-N,C6H9N3O3,171.15,171.0643912,-0.6,83.9,170,0,1,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Imidazole-4-methanol,822-55-9,1745,1H-imidazol-5-ylmethanol,C1=C(NC=N1)CO,"InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)",QDYTUZCWBJRHKK-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,-0.8,48.9,57,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-2-methanol, 1-methyl-5-nitro-",936-05-0,557356,(1-methyl-5-nitroimidazol-2-yl)methanol,CN1C(=CN=C1CO)[N+](=O)[O-],"InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3",JSAQDPJIVQMBAY-UHFFFAOYSA-N,C5H7N3O3,157.13,157.0487411,-0.4,83.9,158,0,1,4,1,11,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
Imidazole-4-carboxylic acid,1072-84-0,14080,1H-imidazole-5-carboxylic acid,C1=C(NC=N1)C(=O)O,"InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)",NKWCGTOZTHZDHB-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-0.1,66,104,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 2,4,5-triiodo-",1746-25-4,74459,"2,4,5-triiodo-1H-imidazole",C1(=C(N=C(N1)I)I)I,"InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)",HIDCNJIBRZBEPN-UHFFFAOYSA-N,C3HI3N2,445.77,445.7274,2.8,28.7,88,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 4,5-dibromo-",2302-30-9,200605,"4,5-dibromo-1H-imidazole",C1=NC(=C(N1)Br)Br,"InChI=1S/C3H2Br2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)",MYYYOBVDIRECDX-UHFFFAOYSA-N,C3H2Br2N2,225.87,225.85642,2.1,28.7,68,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-4-carboxamide, 5-amino-, compd. with orotic acid (1:1), dihydrate",2574-78-9,152917,1H-imidazole-5-carboxamide,C1=C(NC=N1)C(=O)N,"InChI=1S/C4H5N3O/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)",ZBNZAJFNDPPMDT-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-0.7,71.8,103,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 1-methyl-4-nitro-",3034-41-1,18209,1-methyl-4-nitroimidazole,CN1C=C(N=C1)[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3",HSCOLDQJZRZQMV-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.4,63.6,121,0,0,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 1-methyl-5-nitro-",3034-42-2,18210,1-methyl-5-nitroimidazole,CN1C=NC=C1[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3",JLZXSFPSJJMRIX-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.2,63.6,121,0,0,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-1-ethanol, 2-hydroxymethyl-5-nitro-",4812-40-2,121858,2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol,C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-],"InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2",AEHPOYAOLCAMIU-UHFFFAOYSA-N,C6H9N3O4,187.15,187.0593058,-1.3,104,183,0,2,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Imidazole, 2,4-dinitro-",5213-49-0,21275,"2,5-dinitro-1H-imidazole",C1=C(NC(=N1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)",FLDSOXFRYVOGFK-UHFFFAOYSA-N,C3H2N4O4,158.07,158.0076046,0.4,120,183,0,1,5,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1,4-dimethyl-",6338-45-0,138733,"1,4-dimethylimidazole",CC1=CN(C=N1)C,"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3",BLHTXORQJNCSII-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.4,17.8,63,0,0,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1,5-dimethyl-",10447-93-5,139158,"1,5-dimethylimidazole",CC1=CN=CN1C,"InChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h3-4H,1-2H3",HQNBJNDMPLEUDS-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,0.4,17.8,63,0,0,1,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Imidazole, 2-isopropyl-4-nitro-",13373-32-5,83389,5-nitro-2-propan-2-yl-1H-imidazole,CC(C)C1=NC=C(N1)[N+](=O)[O-],"InChI=1S/C6H9N3O2/c1-4(2)6-7-3-5(8-6)9(10)11/h3-4H,1-2H3,(H,7,8)",SQZCZXRYOJJCDU-UHFFFAOYSA-N,C6H9N3O2,155.15,155.0694765,1.1,74.5,154,0,1,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4-nitro-",14419-11-5,203439,1-chloro-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol,CC1=NC(=CN1CC(CCl)O)[N+](=O)[O-],"InChI=1S/C7H10ClN3O3/c1-5-9-7(11(13)14)4-10(5)3-6(12)2-8/h4,6,12H,2-3H2,1H3",JCFLTWHMNZZBFW-UHFFFAOYSA-N,C7H10ClN3O3,219.62,219.0410689,0.4,83.9,211,0,1,4,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 2-isopropyl-1-methyl-5-nitro-",14885-29-1,26951,1-methyl-5-nitro-2-propan-2-ylimidazole,CC(C)C1=NC=C(N1C)[N+](=O)[O-],"InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3",NTAFJUSDNOSFFY-UHFFFAOYSA-N,C7H11N3O2,169.18,169.0851266,1.1,63.6,178,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazol-2-amine, N-(2-bromo-5-chlorophenyl)-4,5-dihydro-, monohydrochloride",15374-04-6,82140,1H-imidazol-2-amine,C1=CN=C(N1)N,"InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)",DEPDDPLQZYCHOH-UHFFFAOYSA-N,C3H5N3,83.09,83.04834717,-0.3,54.7,45,0,2,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 2-bromo-4,5-dichloro-",16076-27-0,99484,"2-bromo-4,5-dichloro-1H-imidazole",C1(=C(N=C(N1)Br)Cl)Cl,"InChI=1S/C3HBrCl2N2/c4-3-7-1(5)2(6)8-3/h(H,7,8)",SULQOTGFPPFUMG-UHFFFAOYSA-N,C3HBrCl2N2,215.86,213.87002,1.9,28.7,91,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 1-((2-hydroxyethoxy)ethyl)-2-methyl-5-nitro-",16156-94-8,204324,2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethanol,CC1=NC=C(N1CCOCCO)[N+](=O)[O-],"InChI=1S/C8H13N3O4/c1-7-9-6-8(11(13)14)10(7)2-4-15-5-3-12/h6,12H,2-5H2,1H3",UGPDZGBXWBKFMT-UHFFFAOYSA-N,C8H13N3O4,215.21,215.0906059,-0.5,93.1,209,0,1,5,5,15,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-1-acetic acid, 2-methyl-4-nitro-",16230-87-8,204395,2-(2-methyl-4-nitroimidazol-1-yl)acetic acid,CC1=NC(=CN1CC(=O)O)[N+](=O)[O-],"InChI=1S/C6H7N3O4/c1-4-7-5(9(12)13)2-8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)",NLTLZGISRLBDJI-UHFFFAOYSA-N,C6H7N3O4,185.14,185.0436557,-0.1,101,226,0,1,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-",22668-01-5,3276,N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide,C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO,"InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)",WCDWBPCFGJXFJZ-UHFFFAOYSA-N,C7H10N4O4,214.18,214.0702048,-1.3,113,242,0,2,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl ester, dihydrobromide",32385-58-3,11957573,2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide,C1=C(NC=N1)CCSC(=N)N.Br.Br,"InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H",DOBOYMKCRRLTRF-UHFFFAOYSA-N,C6H12Br2N4S,332.06,331.91289,,104,139,0,5,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-4-ethanamine, 2-methyl-",34392-54-6,91613,2-(2-methyl-1H-imidazol-5-yl)ethanamine,CC1=NC=C(N1)CCN,"InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)",XDKYTXBAVJELDQ-UHFFFAOYSA-N,C6H11N3,125.17,125.0952974,-0.2,54.7,84,0,2,2,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 4-(2-aminoethyl)-5-methyl-, dihydrochloride",36376-47-3,215819,2-(5-methyl-1H-imidazol-4-yl)ethanamine;dihydrochloride,CC1=C(N=CN1)CCN.Cl.Cl,"InChI=1S/C6H11N3.2ClH/c1-5-6(2-3-7)9-4-8-5;;/h4H,2-3,7H2,1H3,(H,8,9);2*1H",BVJIXYJOFWYOBL-UHFFFAOYSA-N,C6H13Cl2N3,198.09,197.0486528,,54.7,84,0,4,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 4-(2-aminoethyl)-5-methyl-",36507-31-0,37463,2-(5-methyl-1H-imidazol-4-yl)ethanamine,CC1=C(N=CN1)CCN,"InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)",UGYXPZQILZRKJJ-UHFFFAOYSA-N,C6H11N3,125.17,125.0952974,-0.2,54.7,84,0,2,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole, 4-chloromethyl-, hydrochloride",38585-61-4,217324,5-(chloromethyl)-1H-imidazole;hydrochloride,C1=C(NC=N1)CCl.Cl,"InChI=1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H",FASMXPUFMXBVRL-UHFFFAOYSA-N,C4H6Cl2N2,153.01,151.9908036,,28.7,57,0,2,1,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamothioic acid, (2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-, O-methyl ester",42116-76-7,3032998,O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate,CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-],"InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)",OVEVHVURWWTPFC-UHFFFAOYSA-N,C8H12N4O3S,244.27,244.0630114,1.1,117,270,0,1,5,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Dihydrochloride, 1-(2-Aminoethyl)-2-methyl-5-nitroimidazole-",49575-10-2,2724232,2-(2-methyl-5-nitroimidazol-1-yl)ethanamine;hydrate;dihydrochloride,CC1=NC=C(N1CCN)[N+](=O)[O-].O.Cl.Cl,"InChI=1S/C6H10N4O2.2ClH.H2O/c1-5-8-4-6(10(11)12)9(5)3-2-7;;;/h4H,2-3,7H2,1H3;2*1H;1H2",QWNVLXXRZSQSHQ-UHFFFAOYSA-N,C6H14Cl2N4O3,261.1,260.0442957,,90.7,169,0,4,5,2,15,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-alpha-ol, decahydro-3,6,9-trimethyl-,propionate (ester)",56973-26-3,124343,4-hydroxy-1H-imidazole-5-carboxamide,C1=NC(=C(N1)C(=O)N)O,"InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)",UEWSIIBPZOBMBL-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.2,92,127,0,3,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(2-methyl-5-nitro-1H-imidazol-1-yl)-",62580-80-7,93336,"3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol",CC1=NC=C(N1CC(CO)O)[N+](=O)[O-],"InChI=1S/C7H11N3O4/c1-5-8-2-7(10(13)14)9(5)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3",QQNYOVQUGLPEFB-UHFFFAOYSA-N,C7H11N3O4,201.18,201.0749558,-0.6,104,208,0,2,5,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-1-propanol, 2-methyl-5-nitro-, hydrochloride",70028-95-4,149468,3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol;hydrochloride,CC1=NC=C(N1CCCO)[N+](=O)[O-].Cl,"InChI=1S/C7H11N3O3.ClH/c1-6-8-5-7(10(12)13)9(6)3-2-4-11;/h5,11H,2-4H2,1H3;1H",PTXLKVODAFRGDG-UHFFFAOYSA-N,C7H12ClN3O3,221.64,221.0567189,,83.9,182,0,2,4,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Imidazole-1-butyric acid,72338-58-0,3055390,4-imidazol-1-ylbutanoic acid,C1=CN(C=N1)CCCC(=O)O,"InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)",ZCWMZLARYIDEEZ-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,-0.2,55.1,138,0,1,3,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-",118072-93-8,68740,(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid,C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",XRASPMIURGNCCH-UHFFFAOYSA-N,C5H10N2O7P2,272.09,271.9963247,-4.3,153,327,0,5,8,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Imidazole-5-carboxamide, N,1-dimethyl-4-(methylnitrosoamino)-",145438-96-6,126865,"N,3-dimethyl-5-[methyl(nitroso)amino]imidazole-4-carboxamide",CNC(=O)C1=C(N=CN1C)N(C)N=O,"InChI=1S/C7H11N5O2/c1-8-7(13)5-6(12(3)10-14)9-4-11(5)2/h4H,1-3H3,(H,8,13)",YVJMGYAIELXOQU-UHFFFAOYSA-N,C7H11N5O2,197.19,197.0912746,-0.2,79.6,234,0,1,5,2,14,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-1-acetic acid, 2-methyl-5-nitro-",,115249,2-(2-methyl-5-nitroimidazol-1-yl)acetic acid,CC1=NC=C(N1CC(=O)O)[N+](=O)[O-],"InChI=1S/C6H7N3O4/c1-4-7-2-5(9(12)13)8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)",RVEGZXNRNWUYKI-UHFFFAOYSA-N,C6H7N3O4,185.14,185.0436557,-0.2,101,226,0,1,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole-2-methanol, alpha-(5-hydroxy-2-methoxy-3-(1,1-dimethylethyl)phenyl)-1-methyl-5-nitro-",,566830,1H-imidazol-2-ylmethanol,C1=CN=C(N1)CO,"InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)",ZOMATQMEHRJKLO-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,-0.8,48.9,57,0,2,2,1,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-2-propanoic acid, beta-(acetylamino)-, methyl ester",,18320517,3-(1H-imidazol-2-yl)propanoic acid,C1=CN=C(N1)CCC(=O)O,"InChI=1S/C6H8N2O2/c9-6(10)2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)",LOESLMDNPQYFOG-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,-0.1,66,127,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-4-propanoic acid, alpha-(((2-(4-(trifluoromethyl)phenyl)diazenyl)carbonyl)amino)-, methyl ester",,70630,3-(1H-imidazol-5-yl)propanoic acid,C1=C(NC=N1)CCC(=O)O,"InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)",ZCKYOWGFRHAZIQ-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,-0.3,66,127,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-4-sulfonamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-1-methyl-",,22747796,1H-imidazole-5-sulfonamide,C1=C(NC=N1)S(=O)(=O)N,"InChI=1S/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)",JAURKIVAGLWIBP-UHFFFAOYSA-N,C3H5N3O2S,147.16,147.0102476,-1,97.2,182,0,2,4,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-2-sulfonamide, N,N'-(1,2-diselanediylbis(4,1-phenylene))bis(1-methyl-",,21146476,1H-imidazole-2-sulfonamide,C1=CN=C(N1)S(=O)(=O)N,"InChI=1S/C3H5N3O2S/c4-9(7,8)3-5-1-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)",PMTLRCDQMKXMRZ-UHFFFAOYSA-N,C3H5N3O2S,147.16,147.0102476,-1,97.2,182,0,2,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM CYANIDE [C14],005373-08-0,2843951,N-methyl-5-nitroquinolin-8-amine,CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2,"InChI=1S/C10H9N3O2/c1-11-8-4-5-9(13(14)15)7-3-2-6-12-10(7)8/h2-6,11H,1H3",DPGGPHUMELSDSV-UHFFFAOYSA-N,C10H9N3O2,203.2,203.0694765,2,70.7,241,0,1,4,1,15,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMO-8-CHLOROQUINOLINE,927800-40-6,17040073,4-bromo-8-chloroquinoline,C1=CC2=C(C=CN=C2C(=C1)Cl)Br,InChI=1S/C9H5BrClN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H,IDHOUYADRURUHC-UHFFFAOYSA-N,C9H5BrClN,242.5,240.92939,3.7,12.9,165,0,0,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 8-((4-amino-1-methylbutyl)amino)-6-methoxy-, phosphate (1:2)",000063-45-6,6135,"4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid",CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O,"InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)",GJOHLWZHWQUKAU-UHFFFAOYSA-N,C15H27N3O9P2,455.34,455.1222534,,216,312,0,8,12,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-Quinolinol, 5-chloro-7-iodo-",000130-26-7,2788,5-chloro-7-iodoquinolin-8-ol,C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,305.5,304.91044,3.5,33.1,192,0,1,2,0,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"QUINOLINE, 8-CHLORO-",000611-33-6,69139,8-chloroquinoline,C1=CC2=C(C(=C1)Cl)N=CC=C2,InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,RUSMDMDNFUYZTM-UHFFFAOYSA-N,C9H6ClN,163.6,163.0188769,2.4,12.9,138,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINOL, 5-NITROSO-",003565-26-2,19103,5-nitrosoquinolin-8-ol,C1=CC2=C(C=CC(=C2N=C1)O)N=O,"InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H",RZWRYPGAUIOOMK-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.6,62.6,198,0,1,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-Hexanediamine, N,N-diethyl-N(sup 1)-(6-methoxy-4-methyl-8-quinolinyl)-, di",005330-29-0,73340,"N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;dihydrochloride",CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC.Cl.Cl,"InChI=1S/C21H33N3O.2ClH/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20;;/h11,13,15-16,22H,5-10,12,14H2,1-4H3;2*1H",AFMFKGVIHLNIEO-UHFFFAOYSA-N,C21H35Cl2N3O,416.4,415.2157181,,37.4,348,0,3,4,11,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"QUINOLINE, 6-CHLORO-8-NITRO-",068527-66-2,110462,6-chloro-8-nitroquinoline,C1=CC2=CC(=CC(=C2N=C1)[N+](=O)[O-])Cl,InChI=1S/C9H5ClN2O2/c10-7-4-6-2-1-3-11-9(6)8(5-7)12(13)14/h1-5H,LLXHVCBOOWNXPV-UHFFFAOYSA-N,C9H5ClN2O2,208.6,208.0039551,2.5,58.7,231,0,0,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXYQUINOLINE,000148-24-3,1923,quinolin-8-ol,C1=CC2=C(C(=C1)O)N=CC=C2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2,33.1,138,0,1,2,0,11,,"513 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"QUINOLINE, HYDROCHLORIDE",000530-64-3,68264,quinoline;hydrochloride,C1=CC=C2C(=C1)C=CC=N2.Cl,InChI=1S/C9H7N.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-7H;1H,PSXRWZBTVAZNSF-UHFFFAOYSA-N,C9H8ClN,165.62,165.034527,,12.9,111,0,1,1,0,11,,,0,1,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,0
CHLOROQUINE DIPHOSPHATE,000050-63-5,83818,"4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid",CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O,"InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)",AEUAEICGCMSYCQ-UHFFFAOYSA-N,C18H29ClN3O4P,417.9,417.1584211,,106,358,0,4,7,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
5-(CHLOROMETHYL)-8-QUINOLINOL HYDROCHLORIDE,004053-45-6,12269596,5-(chloromethyl)quinolin-8-ol;hydrochloride,C1=CC2=C(C=CC(=C2N=C1)O)CCl.Cl,"InChI=1S/C10H8ClNO.ClH/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10;/h1-5,13H,6H2;1H",BDQGTRWOFVSOQX-UHFFFAOYSA-N,C10H9Cl2NO,230.09,229.0061193,,33.1,176,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINOL, 5,7-DIIODO-",000083-73-8,3728,"5,7-diiodoquinolin-8-ol",C1=CC2=C(C(=C(C=C2I)I)O)N=C1,"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",UXZFQZANDVDGMM-UHFFFAOYSA-N,C9H5I2NO,396.95,396.84606,3.1,33.1,190,0,1,2,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 6-(1-METHYLETHYL)-",000135-79-5,67285,6-propan-2-ylquinoline,CC(C)C1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3",NKCQEIXYLHACJC-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.3,12.9,165,0,0,1,1,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-QUINOLINAMINE,000580-22-3,11379,quinolin-2-amine,C1=CC=C2C(=C1)C=CC(=N2)N,"InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)",GCMNJUJAKQGROZ-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.9,38.9,136,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2-METHYL-6-NITRO-",000613-30-9,69172,2-methyl-6-nitroquinoline,CC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H8N2O2/c1-7-2-3-8-6-9(12(13)14)4-5-10(8)11-7/h2-6H,1H3",DXDPHHQJZWWAEH-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,2.4,58.7,227,0,0,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINOL, 5,7-DICHLORO-",000773-76-2,2722,"5,7-dichloroquinolin-8-ol",C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1,"InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",WDFKMLRRRCGAKS-UHFFFAOYSA-N,C9H5Cl2NO,214.04,212.9748192,3.5,33.1,190,0,1,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, (1-METHYLETHYL)-",001333-53-5,74004,4-propan-2-ylquinoline,CC(C)C1=CC=NC2=CC=CC=C12,"InChI=1S/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3",HFYWOOUKPVJGBA-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.4,12.9,165,0,0,1,1,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 6-BROMO-",005332-25-2,79243,6-bromoquinoline,C1=CC2=C(C=CC(=C2)Br)N=C1,InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,IFIHYLCUKYCKRH-UHFFFAOYSA-N,C9H6BrN,208.05,206.96836,2.8,12.9,138,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 6-ETHOXY-2-METHYL-",006628-28-0,81118,6-ethoxy-2-methylquinoline,CCOC1=CC2=C(C=C1)N=C(C=C2)C,"InChI=1S/C12H13NO/c1-3-14-11-6-7-12-10(8-11)5-4-9(2)13-12/h4-8H,3H2,1-2H3",VTGXHCUQALWXCR-UHFFFAOYSA-N,C12H13NO,187.24,187.099714,2.9,22.1,183,0,0,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-QUINOLINONE, HYDRAZONE",015793-77-8,85111,quinolin-2-ylhydrazine,C1=CC=C2C(=C1)C=CC(=N2)NN,"InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)",QMVCLSHKMIGEFN-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.3,50.9,149,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-QUINOLINAMINE, 2-METHYL-",065079-19-8,103148,2-methylquinolin-6-amine,CC1=NC2=C(C=C1)C=C(C=C2)N,"InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3",TYJFYUVDUUACKX-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.9,38.9,158,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-NITROQUINOLINE,000607-35-2,11830,8-nitroquinoline,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,OQHHSGRZCKGLCY-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.4,58.7,202,0,0,3,0,13,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-NITROQUINOLINE,000613-50-3,11945,6-nitroquinoline,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,SMHPLBXIVNQFBA-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.8,58.7,202,0,0,3,0,13,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-NITROQUINOLINE,000607-34-1,11829,5-nitroquinoline,C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-],InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H,NDDZXHOCOKCNBM-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.9,58.7,202,0,0,3,0,13,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-AMINOQUINOLINE,000611-34-7,11911,quinolin-5-amine,C1=CC(=C2C=CC=NC2=C1)N,"InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2",XMIAFAKRAAMSGX-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.2,38.9,136,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOQUINOLINE,000580-17-6,11375,quinolin-3-amine,C1=CC=C2C(=C1)C=C(C=N2)N,"InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2",SVNCRRZKBNSMIV-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.6,38.9,136,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYLQUINOLINE,000091-62-3,7059,6-methylquinoline,CC1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3",LUYISICIYVKBTA-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.6,12.9,133,0,0,1,0,11,"greater than 235 °F (NTP, 1992)","497.5 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOQUINALDINE,006628-04-2,81116,2-methylquinolin-4-amine,CC1=NC2=CC=CC=C2C(=C1)N,"InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)",COCFIBRMFPWUDW-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.2,38.9,158,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROQUINE,000054-05-7,2719,"4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",WHTVZRBIWZFKQO-UHFFFAOYSA-N,C18H26ClN3,319.9,319.1815255,4.6,28.2,309,0,1,3,8,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
8-HYDROXYQUINOLINE-7-CARBOXYLIC ACID,019829-79-9,231363,8-hydroxyquinoline-7-carboxylic acid,C1=CC2=C(C(=C(C=C2)C(=O)O)O)N=C1,"InChI=1S/C10H7NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h1-5,12H,(H,13,14)",JYIAZVFJRYLCBH-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.9,70.4,231,0,2,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDROXYCHLOROQUINE SULFATE,000747-36-4,12947,2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O,"InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)",JCBIVZZPXRZKTI-UHFFFAOYSA-N,C18H28ClN3O5S,434,433.1438199,,131,413,0,4,8,9,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
CHLOROQUINE SULFATE,000132-73-0,91441,"4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;sulfuric acid",CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OS(=O)(=O)O,"InChI=1S/C18H26ClN3.H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3,4)",OJPWHUOVKVKBQB-UHFFFAOYSA-N,C18H28ClN3O4S,418,417.1489053,,111,390,0,3,7,8,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
8-QUINOLINESULFONIC ACID,000085-48-3,66561,quinoline-8-sulfonic acid,C1=CC2=C(C(=C1)S(=O)(=O)O)N=CC=C2,"InChI=1S/C9H7NO3S/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)",SXVRECLPTCOMIA-UHFFFAOYSA-N,C9H7NO3S,209.22,209.0146643,0.6,75.6,296,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-QUINOLINAMINE, N,N,2-TRIMETHYL-",000092-99-9,66725,"N,N,2-trimethylquinolin-6-amine",CC1=NC2=C(C=C1)C=C(C=C2)N(C)C,"InChI=1S/C12H14N2/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9/h4-8H,1-3H3",JGRWYZQONRFIFH-UHFFFAOYSA-N,C12H14N2,186.25,186.1156985,2.7,16.1,191,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-QUINOLINECARBOXYLIC ACID, 3-HYDROXY-2-METHYL-",000117-57-7,67024,3-hydroxy-2-methylquinoline-4-carboxylic acid,CC1=NC2=CC=CC=C2C(=C1O)C(=O)O,"InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)",RVGATDHHYVSTQG-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,2.3,70.4,256,0,2,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINOL, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)",000134-30-5,61080,"2-hydroxypropane-1,2,3-tricarboxylic acid;quinolin-8-ol",C1=CC2=C(C(=C1)O)N=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C9H7NO.C6H8O7/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6,11H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",GTOQWWQKBBZILU-UHFFFAOYSA-N,C15H15NO8,337.28,337.0797664,,165,365,0,5,9,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-QUINOLINOL,000580-20-1,135426866,quinolin-7-ol,C1=CC2=C(C=C(C=C2)O)N=C1,"InChI=1S/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H",XCRPPAPDRUBKRJ-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2,33.1,138,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, (2-METHYLPROPYL)-",001333-58-0,74005,4-(2-methylpropyl)quinoline,CC(C)CC1=CC=NC2=CC=CC=C12,"InChI=1S/C13H15N/c1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3",ZFIHCQGXRHANID-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.8,12.9,176,0,0,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 2-CHLORO-6-METHYL-",004295-11-8,77974,2-chloro-6-methylquinoline,CC1=CC2=C(C=C1)N=C(C=C2)Cl,"InChI=1S/C10H8ClN/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3",FHHZTIXPIXHMLC-UHFFFAOYSA-N,C10H8ClN,177.63,177.034527,3.1,12.9,160,0,0,1,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 6-METHOXY-",005263-87-6,14860,6-methoxyquinoline,COC1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3",HFDLDPJYCIEXJP-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2.2,22.1,149,0,0,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINAMINE, 6-CHLORO-",005470-75-7,79618,6-chloroquinolin-8-amine,C1=CC2=CC(=CC(=C2N=C1)N)Cl,"InChI=1S/C9H7ClN2/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H,11H2",RRFMPCSQKFOUFO-UHFFFAOYSA-N,C9H7ClN2,178.62,178.0297759,2.4,38.9,163,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2,7-DICHLORO-4-METHYL-",059666-16-9,108800,"2,7-dichloro-4-methylquinoline",CC1=CC(=NC2=C1C=CC(=C2)Cl)Cl,"InChI=1S/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3",FTONSAARTKYOAV-UHFFFAOYSA-N,C10H7Cl2N,212.07,210.9955546,4.1,12.9,186,0,0,1,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINAMINE, 4-METHYL-",062748-01-0,97374,4-methylquinolin-8-amine,CC1=C2C=CC=C(C2=NC=C1)N,"InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3",JRIMCEIADALFEE-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.1,38.9,158,0,1,2,0,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2-METHYL-, HYDROCHLORIDE",062763-89-7,44154,2-methylquinoline;hydrochloride,CC1=NC2=CC=CC=C2C=C1.Cl,"InChI=1S/C10H9N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h2-7H,1H3;1H",XTSLCRPEKXYGBR-UHFFFAOYSA-N,C10H10ClN,179.64,179.050177,,12.9,133,0,1,1,0,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"QUINOLINE, 6-(1-METHYLPROPYL)-",065442-31-1,103401,6-butan-2-ylquinoline,CCC(C)C1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3",AUBLFWWZTFFBNU-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.9,12.9,178,0,0,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 8-(1-METHYLPROPYL)-",067634-06-4,106734,8-butan-2-ylquinoline,CCC(C)C1=CC=CC2=C1N=CC=C2,"InChI=1S/C13H15N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3",UNHPNXMTAQYTRG-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.9,12.9,178,0,0,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, 6-(2-METHYLPROPYL)-",068141-26-4,109640,6-(2-methylpropyl)quinoline,CC(C)CC1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C13H15N/c1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13/h3-7,9-10H,8H2,1-2H3",YKGUUBIPVHRERN-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.8,12.9,176,0,0,1,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"8-QUINOLINAMINE, 6-METHYL-",068420-93-9,110237,6-methylquinolin-8-amine,CC1=CC2=C(C(=C1)N)N=CC=C2,"InChI=1S/C10H10N2/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,11H2,1H3",ZAKYERLVLCYWJN-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.2,38.9,158,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-((4-(7-CHLOROQUINOLIN-4-YLAMINO)PENTYL)(ETHYL)AMINO)ETHANOL,,3652,2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",XXSMGPRMXLTPCZ-UHFFFAOYSA-N,C18H26ClN3O,335.9,335.1764402,3.6,48.4,331,0,2,4,9,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
QUINALDINE,000091-63-4,7060,2-methylquinoline,CC1=NC2=CC=CC=C2C=C1,"InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3",SMUQFGGVLNAIOZ-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.6,12.9,133,0,0,1,0,11,"175 °F (NTP, 1992)","477.7 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,0
QUINOLINE,000091-22-5,7047,quinoline,C1=CC=C2C(=C1)C=CC=N2,InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,SMWDFEZZVXVKRB-UHFFFAOYSA-N,C9H7N,129.16,129.0578492,2,12.9,111,0,0,1,0,10,"138 °F (NFPA, 2010)","460 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,0
8-HYDROXYQUINOLINE-5-SULFONIC ACID HYDRATE,,2723649,8-hydroxyquinoline-5-sulfonic acid;hydrate,C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O,"InChI=1S/C9H7NO4S.H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);1H2",WUXYGIQVWKDVTJ-UHFFFAOYSA-N,C9H9NO5S,243.24,243.0201436,,96.9,323,0,3,6,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLQUINOLINE,000612-58-8,11926,3-methylquinoline,CC1=CC2=CC=CC=C2N=C1,"InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3",DTBDAFLSBDGPEA-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.5,12.9,133,0,0,1,0,11,,,0,1,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
7-(4-ETHYL-1-METHYLOCTYL)-8-QUINOLINOL,073545-11-6,166430,7-(5-ethylnonan-2-yl)quinolin-8-ol,CCCCC(CC)CCC(C)C1=C(C2=C(C=CC=N2)C=C1)O,"InChI=1S/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3",YWACCMLWVBYNHR-UHFFFAOYSA-N,C20H29NO,299.4,299.2249145,7,33.1,306,0,1,2,8,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"5-QUINOLINESULFONIC ACID, 8-HYDROXY-7-IODO-",000547-91-1,11043,8-hydroxy-7-iodoquinoline-5-sulfonic acid,C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1,"InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)",ZBJWWKFMHOAPNS-UHFFFAOYSA-N,C9H6INO4S,351.12,350.90623,1.2,95.9,355,0,2,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
7-METHYLQUINOLINE,000612-60-2,11927,7-methylquinoline,CC1=CC2=C(C=CC=N2)C=C1,"InChI=1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3",KDYVCOSVYOSHOL-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.5,12.9,133,0,0,1,0,11,"230 °F (NTP, 1992)","484.7 to 486.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-FLUORO-2-METHYLQUINOLINE,001128-61-6,70784,6-fluoro-2-methylquinoline,CC1=NC2=C(C=C1)C=C(C=C2)F,"InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3",GPIARMSVZOEZCV-UHFFFAOYSA-N,C10H8FN,161.18,161.0640774,2.7,12.9,160,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-CHLORO-8-QUINOLINOL,000130-16-5,2817,5-chloroquinolin-8-ol,C1=CC2=C(C=CC(=C2N=C1)O)Cl,"InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H",CTQMJYWDVABFRZ-UHFFFAOYSA-N,C9H6ClNO,179.6,179.0137915,2.9,33.1,165,0,1,2,0,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOQUINOLINE,005332-24-1,21413,3-bromoquinoline,C1=CC=C2C(=C1)C=C(C=N2)Br,InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,ZGIKWINFUGEQEO-UHFFFAOYSA-N,C9H6BrN,208.05,206.96836,3.2,12.9,138,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXYQUINOLINE,000580-16-5,11374,quinolin-6-ol,C1=CC2=C(C=CC(=C2)O)N=C1,"InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H",OVYWMEWYEJLIER-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.8,33.1,138,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-AMINOQUINOLINE,000578-66-5,11359,quinolin-8-amine,C1=CC2=C(C(=C1)N)N=CC=C2,"InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2",WREVVZMUNPAPOV-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.8,38.9,136,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"2,7-DIMETHYLQUINOLINE",000093-37-8,7138,"2,7-dimethylquinoline",CC1=CC2=C(C=C1)C=CC(=N2)C,"InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3",QXKPLNCZSFACPU-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,3,12.9,155,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLQUINOLINE",000877-43-0,13414,"2,6-dimethylquinoline",CC1=CC2=C(C=C1)N=C(C=C2)C,"InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3",JJPSZKIOGBRMHK-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,3,12.9,155,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINALDIC ACID,000093-10-7,7124,quinoline-2-carboxylic acid,C1=CC=C2C(=C1)C=CC(=N2)C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)",LOAUVZALPPNFOQ-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.6,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-METHYLQUINOLINE,000611-32-5,11910,8-methylquinoline,CC1=C2C(=CC=C1)C=CC=N2,"InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3",JRLTTZUODKEYDH-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.6,12.9,133,0,0,1,0,11,"221 °F (NTP, 1992)","478 °F at 751 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
QUINOLINE-4-CARBOXYLIC ACID,000486-74-8,10243,quinoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=CC=N2)C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)",VQMSRUREDGBWKT-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,0.5,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-8-HYDROXYQUINOLINE DIHYDROCHLORIDE,021302-43-2,16211947,5-aminoquinolin-8-ol;dihydrochloride,C1=CC2=C(C=CC(=C2N=C1)O)N.Cl.Cl,"InChI=1S/C9H8N2O.2ClH/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;;/h1-5,12H,10H2;2*1H",VTQDJAUGGZFPOI-UHFFFAOYSA-N,C9H10Cl2N2O,233.09,232.0170183,,59.1,163,0,4,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-METHYL-8-NITROQUINOLINE,007471-63-8,81981,7-methyl-8-nitroquinoline,CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-],"InChI=1S/C10H8N2O2/c1-7-4-5-8-3-2-6-11-9(8)10(7)12(13)14/h2-6H,1H3",ZZDTVYJYMRSNQL-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,2.4,58.7,227,0,0,3,0,14,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
8-QUINOLINYLBORONIC ACID,000086-58-8,2734380,quinolin-8-ylboronic acid,B(C1=C2C(=CC=C1)C=CC=N2)(O)O,"InChI=1S/C9H8BNO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H",KXJJSKYICDAICD-UHFFFAOYSA-N,C9H8BNO2,172.98,173.0648087,,53.4,177,0,2,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-QUINOLINECARBOXALDEHYDE,005470-96-2,79619,quinoline-2-carbaldehyde,C1=CC=C2C(=C1)C=CC(=N2)C=O,InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H,WPYJKGWLDJECQD-UHFFFAOYSA-N,C10H7NO,157.17,157.0527638,2.1,30,169,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXYQUINALDIC ACID,001571-30-8,74079,8-hydroxyquinoline-2-carboxylic acid,C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)O,"InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)",UHBIKXOBLZWFKM-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.7,70.4,231,0,2,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXYQUINOLINE-2-CARBOXALDEHYDE,014510-06-6,599342,8-hydroxyquinoline-2-carbaldehyde,C1=CC2=C(C(=C1)O)N=C(C=C2)C=O,"InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H",SLBPIHCMXPQAIQ-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.6,50.2,195,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-AMINOQUINOLINE-7-CARBALDEHYDE,158753-17-4,11052098,8-aminoquinoline-7-carbaldehyde,C1=CC2=C(C(=C(C=C2)C=O)N)N=C1,"InChI=1S/C10H8N2O/c11-9-8(6-13)4-3-7-2-1-5-12-10(7)9/h1-6H,11H2",ZAMLCNSCTZZXCU-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,1.5,56,195,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-QUINOLINESULFONIC ACID, 8-HYDROXY-",000084-88-8,6792,8-hydroxyquinoline-5-sulfonic acid,C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O,"InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)",LGDFHDKSYGVKDC-UHFFFAOYSA-N,C9H7NO4S,225.22,225.0095789,1,95.9,323,0,2,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 4,7-DICHLORO-",000086-98-6,6866,"4,7-dichloroquinoline",C1=CC2=C(C=CN=C2C=C1Cl)Cl,InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,HXEWMTXDBOQQKO-UHFFFAOYSA-N,C9H5Cl2N,198.05,196.9799046,3.6,12.9,163,0,0,1,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"8-QUINOLINOL, 5,7-DIBROMO-",000521-74-4,2453,"5,7-dibromoquinolin-8-ol",C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1,"InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",ZDASUJMDVPTNTF-UHFFFAOYSA-N,C9H5Br2NO,302.95,302.87174,3.2,33.1,190,0,1,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 6-CHLORO-",000612-57-7,69163,6-chloroquinoline,C1=CC2=C(C=CC(=C2)Cl)N=C1,InChI=1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,GKJSZXGYFJBYRQ-UHFFFAOYSA-N,C9H6ClN,163.6,163.0188769,2.7,12.9,138,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2-CHLORO-",000612-62-4,11928,2-chloroquinoline,C1=CC=C2C(=C1)C=CC(=N2)Cl,InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,OFUFXTHGZWIDDB-UHFFFAOYSA-N,C9H6ClN,163.6,163.0188769,2.7,12.9,138,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2-(TRIBROMOMETHYL)-",000613-53-6,69178,2-(tribromomethyl)quinoline,C1=CC=C2C(=C1)C=CC(=N2)C(Br)(Br)Br,"InChI=1S/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H",UDYYQHILRSDDMP-UHFFFAOYSA-N,C10H6Br3N,379.87,378.80299,4.4,12.9,202,0,0,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-QUINOLINEETHANOL,001011-50-3,70532,2-quinolin-2-ylethanol,C1=CC=C2C(=C1)C=CC(=N2)CCO,"InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2",VPDAGUVEZGEHJJ-UHFFFAOYSA-N,C11H11NO,173.21,173.084064,1.8,33.1,160,0,1,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"QUINOLINE, 2,4-DIMETHYL-",001198-37-4,14536,"2,4-dimethylquinoline",CC1=CC(=NC2=CC=CC=C12)C,"InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3",ZTNANFDSJRRZRJ-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,3,12.9,155,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 2-IODO-",006560-83-4,81044,2-iodoquinoline,C1=CC=C2C(=C1)C=CC(=N2)I,InChI=1S/C9H6IN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,FRWYFWZENXDZMU-UHFFFAOYSA-N,C9H6IN,255.05,254.9545,3,12.9,138,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-QUINOLINECARBOXYLIC ACID,010349-57-2,82571,quinoline-6-carboxylic acid,C1=CC2=C(C=CC(=C2)C(=O)O)N=C1,"InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)",VXGYRCVTBHVXMZ-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.3,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 6-(1,1-DIMETHYLETHYL)-",068141-13-9,109638,6-tert-butylquinoline,CC(C)(C)C1=CC2=C(C=C1)N=CC=C2,"InChI=1S/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3",JHAWWJQGHKGXHA-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.9,12.9,192,0,0,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEPIDINE,000491-35-0,10285,4-methylquinoline,CC1=CC=NC2=CC=CC=C12,"InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3",MUDSDYNRBDKLGK-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.6,12.9,133,0,0,1,0,11,,261-263 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXYQUINALDINE,000826-81-3,13224,2-methylquinolin-8-ol,CC1=NC2=C(C=CC=C2O)C=C1,"InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3",NBYLBWHHTUWMER-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,2.3,33.1,160,0,1,2,0,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,7-DICHLORO-8-QUINOLINECARBOXYLIC ACID",084087-01-4,91739,"3,7-dichloroquinoline-8-carboxylic acid",C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl,"InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)",FFSSWMQPCJRCRV-UHFFFAOYSA-N,C10H5Cl2NO2,242.05,240.9697338,3,50.2,262,0,1,3,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-, monohydrochloride",61-12-1,521951,2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.Cl,"InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H",IVHBBMHQKZBJEU-UHFFFAOYSA-N,C20H30ClN3O2,379.9,379.2026549,,54.5,387,0,2,4,10,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"8-Quinolinol, 5,7-dichloro-2-methyl-",72-80-0,6301,"5,7-dichloro-2-methylquinolin-8-ol",CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",GPTXWRGISTZRIO-UHFFFAOYSA-N,C10H7Cl2NO,228.07,226.9904692,3.5,33.1,214,0,1,2,0,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-",85-79-0,3025,2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",PUFQVTATUTYEAL-UHFFFAOYSA-N,C20H29N3O2,343.5,343.2259772,4.4,54.5,387,0,1,4,10,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 6-methoxy-8-nitro-",85-81-4,6822,6-methoxy-8-nitroquinoline,COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-],"InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3",MIMUSZHMZBJBPO-UHFFFAOYSA-N,C10H8N2O3,204.18,204.0534921,1.9,67.9,241,0,0,4,1,15,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy-",90-34-6,4908,"4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine",CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",INDBQLZJXZLFIT-UHFFFAOYSA-N,C15H21N3O,259.35,259.1684623,2.2,60.2,262,0,2,4,6,19,,175-179 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Quinoline, 8-amino-6-methoxy-",90-52-8,7023,6-methoxyquinolin-8-amine,COC1=CC(=C2C(=C1)C=CC=N2)N,"InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3",YGGTVPCTAKYCSQ-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,1.4,48.1,174,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinchoninic acid, 3-hydroxy-",118-13-8,8352,3-hydroxyquinoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=C(C=N2)O)C(=O)O,"InChI=1S/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)",MXNVEJDRXSFZQB-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.9,70.4,231,0,2,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 8-fluoro-",394-68-3,67856,8-fluoroquinoline,C1=CC2=C(C(=C1)F)N=CC=C2,InChI=1S/C9H6FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,RNAAXKYOTPSFGV-UHFFFAOYSA-N,C9H6FN,147.15,147.0484274,2.2,12.9,138,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 4-fluoro-",394-70-7,196974,4-fluoroquinoline,C1=CC=C2C(=C1)C(=CC=N2)F,InChI=1S/C9H6FN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,IZCUJTLKJPQFSY-UHFFFAOYSA-N,C9H6FN,147.15,147.0484274,1,12.9,138,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 6-fluoro-",396-30-5,196975,6-fluoroquinoline,C1=CC2=C(C=CC(=C2)F)N=C1,InChI=1S/C9H6FN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,RMDCSDVIVXJELQ-UHFFFAOYSA-N,C9H6FN,147.15,147.0484274,2.2,12.9,138,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 7-fluoro-",396-32-7,160459,7-fluoroquinoline,C1=CC2=C(C=C(C=C2)F)N=C1,InChI=1S/C9H6FN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,XUIRHRWOJCYEDJ-UHFFFAOYSA-N,C9H6FN,147.15,147.0484274,2.3,12.9,138,0,0,2,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 8-((4-aminopentyl)amino)-6-methoxy-",525-61-1,68928,"1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine",CC(CCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N,"InChI=1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3",NBAFIBBHADOTMU-UHFFFAOYSA-N,C15H21N3O,259.35,259.1684623,2.2,60.2,262,0,2,4,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-Quinolinol,578-67-6,135441757,quinolin-5-ol,C1=CC2=C(C=CC=N2)C(=C1)O,"InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H",GYESAYHWISMZOK-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2.3,33.1,138,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Quinolinol,580-18-7,11376,quinolin-3-ol,C1=CC=C2C(=C1)C=C(C=N2)O,"InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H",IQQDNMHUOLMLNJ-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,2.1,33.1,138,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 7-amino-",580-19-8,11377,quinolin-7-amine,C1=CC2=C(C=C(C=C2)N)N=C1,"InChI=1S/C9H8N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,10H2",RZAUIOKDXQWSQE-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.5,38.9,136,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 7-nitro-",613-51-4,11946,7-nitroquinoline,C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C1,InChI=1S/C9H6N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H,MXKZSCXYMSXOAO-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.8,58.7,202,0,0,3,0,13,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinaldine, 8-nitro-",881-07-2,13433,2-methyl-8-nitroquinoline,CC1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1,"InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3",UHPGVDHXHDPYQP-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,2,58.7,227,0,0,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, 5-bromo-",1198-14-7,70974,5-bromoquinolin-8-ol,C1=CC2=C(C=CC(=C2N=C1)O)Br,"InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H",WIIUANWSGSTCLG-UHFFFAOYSA-N,C9H6BrNO,224.05,222.96328,2.9,33.1,165,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Quinoline, 4-nitro-",3741-15-9,77341,4-nitroquinoline,C1=CC=C2C(=C1)C(=CC=N2)[N+](=O)[O-],InChI=1S/C9H6N2O2/c12-11(13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,ZPVSFHWMXABGPU-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,2.1,58.7,202,0,0,3,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, 5-nitro-",4008-48-4,19910,5-nitroquinolin-8-ol,C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-],"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",RJIWZDNTCBHXAL-UHFFFAOYSA-N,C9H6N2O3,190.16,190.0378421,2.1,78.9,229,0,1,4,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 5,6,8-trifluoro-",10/4/80,3014355,"5,6,8-trifluoroquinoline",C1=CC2=C(C(=CC(=C2F)F)F)N=C1,InChI=1S/C9H4F3N/c10-6-4-7(11)9-5(8(6)12)2-1-3-13-9/h1-4H,DFYPWUZXTWLPSC-UHFFFAOYSA-N,C9H4F3N,183.13,183.0295836,2.5,12.9,188,0,0,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 3-bromo-8-nitro-",7/1/41,79286,3-bromo-8-nitroquinoline,C1=CC2=CC(=CN=C2C(=C1)[N+](=O)[O-])Br,InChI=1S/C9H5BrN2O2/c10-7-4-6-2-1-3-8(12(13)14)9(6)11-5-7/h1-5H,DTXRHWZDVULKEJ-UHFFFAOYSA-N,C9H5BrN2O2,253.05,251.95344,2.1,58.7,231,0,0,3,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 5-bromo-6-methoxy-8-nitro-",5347-15-9,94809,5-bromo-6-methoxy-8-nitroquinoline,COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)Br,"InChI=1S/C10H7BrN2O3/c1-16-8-5-7(13(14)15)10-6(9(8)11)3-2-4-12-10/h2-5H,1H3",SDMIYMJTQNOZRV-UHFFFAOYSA-N,C10H7BrN2O3,283.08,281.964,2.7,67.9,271,0,0,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, (8-quinolinolato)tributyl-",5488-45-9,16683764,tributyl(quinolin-8-yloxy)stannane,CCCC[Sn](CCCC)(CCCC)OC1=CC=CC2=C1N=CC=C2,"InChI=1S/C9H7NO.3C4H9.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-3-4-2;/h1-6,11H;3*1,3-4H2,2H3;/q;;;;+1/p-1",DJKDNXSBSRRGIU-UHFFFAOYSA-M,C21H33NOSn,434.2,435.158417,,22.1,314,0,0,2,11,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, 7-bromo-5-chloro-",7640-33-7,82095,7-bromo-5-chloroquinolin-8-ol,C1=CC2=C(C(=C(C=C2Cl)Br)O)N=C1,"InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H",ADJQQSUBKRASQN-UHFFFAOYSA-N,C9H5BrClNO,258.5,256.9243,3.6,33.1,192,0,1,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 5-methyl-",7661-55-4,24312,5-methylquinoline,CC1=C2C=CC=NC2=CC=C1,"InChI=1S/C10H9N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-7H,1H3",LMYVCXSKCQSIEQ-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.6,12.9,133,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-Quinolinesulfonyl chloride,18704-37-5,29220,quinoline-8-sulfonyl chloride,C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CC=C2,"InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H",JUYUYCIJACTHMK-UHFFFAOYSA-N,C9H6ClNO2S,227.67,226.9807773,1.9,55.4,298,0,0,3,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"8-Quinolinol, 5-methyl-, dodecyl sulfate (salt)",22816-64-4,24845891,dodecyl hydrogen sulfate;5-methylquinolin-8-ol,CCCCCCCCCCCCOS(=O)(=O)O.CC1=C2C=CC=NC2=C(C=C1)O,"InChI=1S/C12H26O4S.C10H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-12H2,1H3,(H,13,14,15);2-6,12H,1H3",DBWLCXCIULUFPA-UHFFFAOYSA-N,C22H35NO5S,425.6,425.2235944,,105,404,0,2,6,12,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Quinoline, 7-chloro-4-hydrazino-",23834-14-2,32109,(7-chloroquinolin-4-yl)hydrazine,C1=CC2=C(C=CN=C2C=C1Cl)NN,"InChI=1S/C9H8ClN3/c10-6-1-2-7-8(13-11)3-4-12-9(7)5-6/h1-5H,11H2,(H,12,13)",TWJRTPKEHPDDPG-UHFFFAOYSA-N,C9H8ClN3,193.63,193.040675,2.2,50.9,176,0,2,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Quinolinecarboxamide, N-hydroxy-",37137-42-1,148031,N-hydroxyquinoline-2-carboxamide,C1=CC=C2C(=C1)C=CC(=N2)C(=O)NO,"InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)",RLBGLCXAYWCPDM-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,0.9,62.2,220,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, 5,7-dichloro-, acetate (ester)",52174-94-4,148563,"(5,7-dichloroquinolin-8-yl) acetate",CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Cl,"InChI=1S/C11H7Cl2NO2/c1-6(15)16-11-9(13)5-8(12)7-3-2-4-14-10(7)11/h2-5H,1H3",YLHTUGZWCAVVON-UHFFFAOYSA-N,C11H7Cl2NO2,256.08,254.9853839,3.2,39.2,275,0,0,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-4-oxo-7-(1-piperazinyl)-,monohydrochloride",75338-40-8,80971,quinoline-3-carboxylic acid,C1=CC=C2C(=C1)C=C(C=N2)C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)",DJXNJVFEFSWHLY-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.7,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinolinemethanol, 2-phenyl-1-alpha-(3-piperidinylmethyl)-, dihydrochloride, (R*,R*)-,(+-)-",81291-06-7,80479,quinolin-4-ylmethanol,C1=CC=C2C(=C1)C(=CC=N2)CO,"InChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-6,12H,7H2",KXYNLLGPBDUAHW-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.4,33.1,149,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinecarboxylic acid, 7-chloro-3-methyl-",90717-03-6,91749,7-chloro-3-methylquinoline-8-carboxylic acid,CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1,"InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)",ALZOLUNSQWINIR-UHFFFAOYSA-N,C11H8ClNO2,221.64,221.0243562,2.7,50.2,259,0,1,3,1,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester",99607-70-2,93528,heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate,CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2,"InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3",COYBRKAVBMYYSF-UHFFFAOYSA-N,C18H22ClNO3,335.8,335.1288213,5.5,48.4,366,0,0,4,9,23,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"Quinoline, 6,7-difluoro-",127827-50-3,921294,"6,7-difluoroquinoline",C1=CC2=CC(=C(C=C2N=C1)F)F,InChI=1S/C9H5F2N/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h1-5H,IDDIQDVSYHYORP-UHFFFAOYSA-N,C9H5F2N,165.14,165.0390055,2.4,12.9,163,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Quinolinecarboxamide, 1,2,3,4-tetrahydro-N-hydroxy-2-methyl-",193888-39-0,20493570,quinoline-5-carboxamide,C1=CC(=C2C=CC=NC2=C1)C(=O)N,"InChI=1S/C10H8N2O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9/h1-6H,(H2,11,13)",LZHJFZLHEGJWAU-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,1.5,56,205,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-",193888-40-3,232489,quinoline-5-carboxylic acid,C1=CC(=C2C=CC=NC2=C1)C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1-6H,(H,12,13)",RAYMXZBXQCGRGX-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,2.2,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Quinolinemethanol, 1,2,3,4-tetrahydro-2-methyl-",268541-34-0,823080,quinolin-5-ylmethanol,C1=CC(=C2C=CC=NC2=C1)CO,"InChI=1S/C10H9NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h1-6,12H,7H2",ZKPMQVSVRVORAH-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.3,33.1,149,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinolin-4-amine, N-(benzo(d)(1,3)dioxol-5-yl)-6-bromo-",,68476,quinolin-4-amine,C1=CC=C2C(=C1)C(=CC=N2)N,"InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)",FQYRLEXKXQRZDH-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.6,38.9,136,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Quinolineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester",,712919,(E)-3-quinolin-2-ylprop-2-enoic acid,C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)O,"InChI=1S/C12H9NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-8H,(H,14,15)/b8-7+",QHJIDQGIAPCVMU-BQYQJAHWSA-N,C12H9NO2,199.2,199.0633285,2.2,50.2,262,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarbonitrile, 2-amino-4-(4-bromophenyl)-1,4-dihydro-7-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)oxy)-",,93177,quinoline-3-carbonitrile,C1=CC=C2C(=C1)C=C(C=N2)C#N,"InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H",QZZYYBQGTSGDPP-UHFFFAOYSA-N,C10H6N2,154.17,154.0530982,1.6,36.7,203,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline-4-carbonitrile, 5-(benzylamino)-2-(3-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-(1,2,4)triazolo(1,5-a)-",,270566,quinoline-4-carbonitrile,C1=CC=C2C(=C1)C(=CC=N2)C#N,InChI=1S/C10H6N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,JBSAUEMFOKUWTP-UHFFFAOYSA-N,C10H6N2,154.17,154.0530982,2,36.7,203,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Quinolinecarboxaldehyde, 8-hydroxy-, sodium salt",,3543386,quinoline-5-carbaldehyde,C1=CC(=C2C=CC=NC2=C1)C=O,InChI=1S/C10H7NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h1-7H,BNEVFKZLYCGDFG-UHFFFAOYSA-N,C10H7NO,157.17,157.0527638,2.1,30,169,0,0,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinolinecarboxamide, 4-(2-((2S)-2-azetidinyl)ethoxy)-7-chloro-1,2-dihydro-2-oxo-N-(4-pyrimidinyl)-3-(3,4,5-trimethylphenyl)-, dihydrochloride",,11052097,quinoline-6-carboxamide,C1=CC2=C(C=CC(=C2)C(=O)N)N=C1,"InChI=1S/C10H8N2O/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,(H2,11,13)",YMNAJWHTELQUJU-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,0.7,56,205,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinolinecarboxamide, 2-methyl-",,85122,2-methylquinoline-4-carboxamide,CC1=NC2=CC=CC=C2C(=C1)C(=O)N,"InChI=1S/C11H10N2O/c1-7-6-9(11(12)14)8-4-2-3-5-10(8)13-7/h2-6H,1H3,(H2,12,14)",GPTOAZYKFYMYMW-UHFFFAOYSA-N,C11H10N2O,186.21,186.0793129,1.7,56,229,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 8-chloro-5-nitro-",,252444,8-chloro-5-nitroquinoline,C1=CC2=C(C=CC(=C2N=C1)Cl)[N+](=O)[O-],InChI=1S/C9H5ClN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H,XSJNIKQCTPVESL-UHFFFAOYSA-N,C9H5ClN2O2,208.6,208.0039551,3.1,58.7,231,0,0,3,0,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-Quinolinemethanamine, 5-chloro-8-(3-fluorophenyl)-alpha-methyl-N-9H-purin-6-yl-, (alphaS)-",,17904490,quinolin-7-ylmethanamine,C1=CC2=C(C=C(C=C2)CN)N=C1,"InChI=1S/C10H10N2/c11-7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H,7,11H2",URZJLQQKSKBTAG-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1,38.9,147,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinepropanoic acid, 1,2,3,4-tetrahydro-beta-((1-(1-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-4-piperidinyl)methyl)-, (beta-S,3S)-",,12415751,3-quinolin-3-ylpropanoic acid,C1=CC=C2C(=C1)C=C(C=N2)CCC(=O)O,"InChI=1S/C12H11NO2/c14-12(15)6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,7-8H,5-6H2,(H,14,15)",PDVKRIXEUOTSJQ-UHFFFAOYSA-N,C12H11NO2,201.22,201.0789786,1.9,50.2,230,0,1,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinesulfonamide, N,N'-(1,2-diselanediylbis(4,1-phenylene))bis-",,94464,quinoline-8-sulfonamide,C1=CC2=C(C(=C1)S(=O)(=O)N)N=CC=C2,"InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)",ZTYZEUXZHGOXRT-UHFFFAOYSA-N,C9H8N2O2S,208.24,208.0306487,0.4,81.4,296,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Quinolinesulfonamide, 5-nitro-",,3031755,5-nitroquinoline-8-sulfonamide,C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)N)[N+](=O)[O-],"InChI=1S/C9H7N3O4S/c10-17(15,16)8-4-3-7(12(13)14)6-2-1-5-11-9(6)8/h1-5H,(H2,10,15,16)",CJSQAFQNYLQGAA-UHFFFAOYSA-N,C9H7N3O4S,253.24,253.0157269,0.2,127,399,0,1,6,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXENE,000110-83-8,8079,cyclohexene,C1CCC=CC1,"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",HGCIXCUEYOPUTN-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.9,0,45,0,0,0,0,6,"11 °F (NIOSH, 2024)","181 °F at 760 mmHg (NIOSH, 2024)",0,1,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-1-CYCLOHEXENE,000591-48-0,11573,3-methylcyclohexene,CC1CCCC=C1,"InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3",UZPWKTCMUADILM-UHFFFAOYSA-N,C7H12,96.17,96.09390038,2.8,0,72,0,0,0,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-1-CYCLOHEXENE,000591-49-1,11574,1-methylcyclohexene,CC1=CCCCC1,"InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",CTMHWPIWNRWQEG-UHFFFAOYSA-N,C7H12,96.17,96.09390038,2.4,0,80,0,0,0,0,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYLCYCLOHEXENE,000591-47-9,11572,4-methylcyclohexene,CC1CCC=CC1,"InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3",FSWCCQWDVGZMRD-UHFFFAOYSA-N,C7H12,96.17,96.09390038,2.7,0,72,0,0,0,0,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIMETHYLCYCLOHEXENE",001674-10-8,15480,"1,2-dimethylcyclohexene",CC1=C(CCCC1)C,"InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3",TXNWMICHNKMOBR-UHFFFAOYSA-N,C8H14,110.2,110.1095504,2.3,0,95,0,0,0,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CYCLOHEXENE-1-CARBOXALDEHYDE,000100-50-5,7508,cyclohex-3-ene-1-carbaldehyde,C1CC(CC=C1)C=O,"InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2",DCFDVJPDXYGCOK-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.2,17.1,105,0,0,1,1,8,"135 °F (NFPA, 2010)",105 °C,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CYCLOHEXENE-1-ETHANAMINE,003399-73-3,76938,2-(cyclohexen-1-yl)ethanamine,C1CCC(=CC1)CCN,"InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2",IUDMXOOVKMKODN-UHFFFAOYSA-N,C8H15N,125.21,125.1204495,1.3,26,105,0,1,1,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXENE, 1-METHYL-4-(1-METHYLETHYL)-",005502-88-5,21671,1-methyl-4-propan-2-ylcyclohexene,CC1=CCC(CC1)C(C)C,"InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3",FAMJUFMHYAFYNU-UHFFFAOYSA-N,C10H18,138.25,138.1408506,3.4,0,131,0,0,0,1,10,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
LIMONENE,000138-86-3,22311,1-methyl-4-prop-1-en-2-ylcyclohexene,CC1=CCC(CC1)C(=C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",XMGQYMWWDOXHJM-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.4,0,163,0,0,0,1,10,"115 °F (USCG, 1999)","352 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
(S)-(-)-LIMONENE,005989-54-8,439250,(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene,CC1=CC[C@H](CC1)C(=C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",XMGQYMWWDOXHJM-SNVBAGLBSA-N,C10H16,136.23,136.1252005,3.4,0,163,0,0,0,1,10,48 °C,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"SILANE, (1-CYCLOHEXEN-1-YLOXY)TRIMETHYL-",006651-36-1,81161,cyclohexen-1-yloxy(trimethyl)silane,C[Si](C)(C)OC1=CCCCC1,"InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3",SBEMOANGDSSPJY-UHFFFAOYSA-N,C9H18OSi,170.32,170.1126917,,9.2,155,0,0,1,2,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXENE, TRIMETHYL-",068555-95-3,79032,"1,5,5-trimethylcyclohexene",CC1=CCCC(C1)(C)C,"InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h5H,4,6-7H2,1-3H3",CHOOCIQDWNAXQQ-UHFFFAOYSA-N,C9H16,124.22,124.1252005,3,0,129,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
D-LIMONENE,005989-27-5,440917,(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene,CC1=CC[C@@H](CC1)C(=C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",XMGQYMWWDOXHJM-JTQLQIEISA-N,C10H16,136.23,136.1252005,3.4,0,163,0,0,0,1,10,"119 °F (NTP, 1992)","348 to 349 °F at 760 mmHg (NTP, 1992)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"ETHANONE, 1-(4-METHYL-3-CYCLOHEXEN-1-YL)-",006090-09-1,93019,1-(4-methylcyclohex-3-en-1-yl)ethanone,CC1=CCC(CC1)C(=O)C,"InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3",HOBBEYSRFFJETF-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.3,17.1,168,0,0,1,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXENECARBOXALDEHYDE, DIMETHYL-",068084-52-6,107104,"2,6-dimethylcyclohex-2-ene-1-carbaldehyde",CC1CCC=C(C1C=O)C,"InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(7)6-10/h4,6,8-9H,3,5H2,1-2H3",ZTNFZIHZMITMGE-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.8,17.1,158,0,0,1,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
RETINAL,000116-31-4,638015,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",NCYCYZXNIZJOKI-OVSJKPMPSA-N,C20H28O,284.4,284.2140155,6.2,17.1,522,0,0,1,5,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"3-CYCLOHEXENE-1,1-DIMETHANOL",002160-94-3,16544,[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol,C1CC(CC=C1)(CO)CO,"InChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2",YXEBFFWTZWGHEY-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,0.5,40.5,125,0,2,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-",000432-24-6,94143,"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde",CC1=CCCC(C1C=O)(C)C,"InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3",ZVZRJSHOOULAGB-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.2,17.1,189,0,0,1,1,11,,196.00 to 197.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-CYCLOHEXENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-",000432-25-7,9895,"2,6,6-trimethylcyclohexene-1-carbaldehyde",CC1=C(C(CCC1)(C)C)C=O,"InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",MOQGCGNUWBPGTQ-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.4,17.1,199,0,0,1,1,11,,62.00 to 63.00 °C. @ 3.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOHEXENE-1-ACETALDEHYDE, 2,6,6-TRIMETHYL-",000472-64-0,101695,"2-(2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde",CC1=CCCC(C1CC=O)(C)C,"InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h5,8,10H,4,6-7H2,1-3H3",YJKGMUJSGUUUJU-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.3,17.1,201,0,0,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-CYCLOHEXENE-1-ACETALDEHYDE, 2,6,6-TRIMETHYL-",000472-66-2,61124,"2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde",CC1=C(C(CCC1)(C)C)CC=O,"InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3",VHTFHZGAMYUZEP-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.2,17.1,211,0,0,1,2,12,,58.00 to 59.00 °C. @ 760.40 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"RETINAL, 13-CIS-",000472-86-6,6436079,"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=O)/C)/C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-",NCYCYZXNIZJOKI-HWCYFHEPSA-N,C20H28O,284.4,284.2140155,6.2,17.1,522,0,0,1,5,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Retinal, 9-cis-",000514-85-2,6436082,"(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=O)\C)/C,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+",NCYCYZXNIZJOKI-MKOSUFFBSA-N,C20H28O,284.4,284.2140155,6.2,17.1,522,0,0,1,5,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-CYCLOHEXENE-1-ACETONITRILE,006975-71-9,81461,2-(cyclohexen-1-yl)acetonitrile,C1CCC(=CC1)CC#N,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2",OYEXEQFKIPJKJK-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.7,23.8,159,0,0,1,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-METHOXY-2,2,6,6-TETRAMETHYL-3-CYCLOHEXEN-1-YL)-",016556-48-2,86027,"1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone",CC(=O)C1C(CC(=CC1(C)C)OC)(C)C,"InChI=1S/C13H22O2/c1-9(14)11-12(2,3)7-10(15-6)8-13(11,4)5/h7,11H,8H2,1-6H3",ZGMRSDALCWKJIM-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,2.8,26.3,298,0,0,2,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"(Z)-1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE",023726-94-5,6436548,"(Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C/C=C\C(=O)C1C(=CCCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-",CRIGTVCBMUKRSL-ALCCZGGFSA-N,C13H20O,192.3,192.1514153,3.2,17.1,282,0,0,1,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-",024720-09-0,5366077,"(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C/C=C/C(=O)C1C(=CCCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+",CRIGTVCBMUKRSL-FNORWQNLSA-N,C13H20O,192.3,192.1514153,3.2,17.1,282,0,0,1,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CYCLOHEXENECARBONITRILE,027456-25-3,74619,cyclohexene-1-carbonitrile,C1CCC(=CC1)C#N,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2",GTMWGXABXQTZRJ-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.9,23.8,147,0,0,1,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE",057378-68-4,5365916,"(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one",C/C=C/C(=O)C1C(C=CCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+",XEJGJTYRUWUFFD-FNORWQNLSA-N,C13H20O,192.3,192.1514153,3.4,17.1,271,0,0,1,2,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-, [1.ALPHA.(E),2.BETA.]-",071048-82-3,42296,"1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one",CC=CC(=O)C1C(C=CCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3",XEJGJTYRUWUFFD-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.4,17.1,271,0,0,1,2,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"SILANE, [2-(3-CYCLOHEXEN-1-YL)ETHYL]TRIMETHOXY-",067592-36-3,105462,2-cyclohex-3-en-1-ylethyl(trimethoxy)silane,CO[Si](CCC1CCC=CC1)(OC)OC,"InChI=1S/C11H22O3Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3",LJNFZEBTNPLCMG-UHFFFAOYSA-N,C11H22O3Si,230.38,230.1338211,,27.7,194,0,0,3,6,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-CYCLOHEXENE-1-PROPANAL, 4,4-DIMETHYL-",850997-10-3,22336879,"3-(4,4-dimethylcyclohexen-1-yl)propanal",CC1(CCC(=CC1)CCC=O)C,"InChI=1S/C11H18O/c1-11(2)7-5-10(6-8-11)4-3-9-12/h5,9H,3-4,6-8H2,1-2H3",IHMKWBJKOWYASH-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.4,17.1,189,0,0,1,3,12,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
4-METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL,000562-74-3,11230,4-methyl-1-propan-2-ylcyclohex-3-en-1-ol,CC1=CCC(CC1)(C(C)C)O,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",WRYLYDPHFGVWKC-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.2,20.2,170,0,1,1,1,11,79 degrees C (174  degrees F) - closed cup,209 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
RETINOIC ACID,000302-79-4,444795,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",SHGAZHPCJJPHSC-YCNIQYBTSA-N,C20H28O2,300.4,300.2089301,6.3,37.3,567,0,1,2,5,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
ALL-TRANS-RETINOL,000068-26-8,445354,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C20H30O,286.5,286.2296656,5.7,20.2,496,0,1,1,5,21,,"279 to 280 °F at 1e-06 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"CYCLOHEXENE, 4-(1,5-DIMETHYL-1,4-HEXADIENYL)-1-METHYL-",017627-44-0,86597,"1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene",CC1=CCC(CC1)C(=CCC=C(C)C)C,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3",YHBUQBJHSRGZNF-UHFFFAOYSA-N,C15H24,204.35,204.1878008,5.2,0,285,0,0,0,3,15,,,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANE, 1-ETHENYL-1-METHYL-2-(1-METHYLETHENYL)-4-(1-METHYLETHYL)-, DIDEHY",068845-33-0,111381,3-ethenyl-3-methyl-6-propan-2-yl-4-prop-1-en-2-ylcyclohexene,CC(C)C1CC(C(C=C1)(C)C=C)C(=C)C,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,11,13-14H,1,4,10H2,2-3,5-6H3",XVRFIWWOQCZTPI-UHFFFAOYSA-N,C15H24,204.35,204.1878008,5.7,0,282,0,0,0,3,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-OCTANOIC ACID, 5(OR 6)-CARBOXY-4-HEXYL-, MONOPOTASSIUM SALT",056453-06-6,23668641,potassium 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylate,CCCCCCC1C=CC(CC1C(=O)[O-])CCCCCCCC(=O)O.[K+],"InChI=1S/C21H36O4.K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1",NQEIIANRMIDQRR-UHFFFAOYSA-M,C21H35KO4,390.6,390.2172411,,77.4,422,0,1,4,14,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RETINOL PALMITATE,000079-81-2,5280531,"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",VYGQUTWHTHXGQB-FFHKNEKCSA-N,C36H60O2,524.9,524.4593312,13.6,26.3,803,0,0,2,21,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
RETINOL ACETATE,000127-47-9,638034,"[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+",QGNJRVVDBSJHIZ-QHLGVNSISA-N,C22H32O2,328.5,328.2402303,6.3,26.3,595,0,0,2,7,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
ISOTRETINOIN,004759-48-2,5282379,"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",SHGAZHPCJJPHSC-XFYACQKRSA-N,C20H28O2,300.4,300.2089301,6.3,37.3,567,0,1,2,5,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID, DIMETHYL ESTER",007500-55-2,24124,"dimethyl cyclohex-4-ene-1,2-dicarboxylate",COC(=O)C1CC=CCC1C(=O)OC,"InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3",DVVAGRMJGUQHLI-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.1,52.6,231,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOHEXENE-1-CARBOXYLIC ACID, 5(OR 6)-CARBOXY-4-HEXYL-, C12-16-ALKYL ESTERS",070693-21-9,10975489,cyclohex-2-ene-1-carboxylic acid,C1CC=CC(C1)C(=O)O,"InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,8,9)",YVWBQGFBSVLPIK-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,1.5,37.3,138,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",000079-89-0,97996,"3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one",CC1=C(C(CCC1)(C)C)C=C(C)C(=O)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3",NSSHGPBKKVJJMM-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.3,17.1,329,0,0,1,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-",000099-48-9,7438,2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol,CC1=CCC(CC1O)C(=C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",BAVONGHXFVOKBV-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,20.2,191,0,1,1,1,11,,"439 to 441 °F at 751 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",000127-43-5,5375218,"(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one",CCC(=O)/C=C/C1=C(CCCC1(C)C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+",LMWNGLDCJDIIBR-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.4,17.1,305,0,0,1,3,15,,102.00 °C. @ 2.60 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-CYCLOHEXENE-1-METHANOL, 4-(1-METHYLETHENYL)-",000536-59-4,10819,(4-prop-1-en-2-ylcyclohexen-1-yl)methanol,CC(=C)C1CCC(=CC1)CO,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3",NDTYTMIUWGWIMO-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,20.2,179,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-CYCLOHEXEN-1-OL, 2-METHYL-5-(1-METHYLETHENYL)-, (1S-TRANS)-",002102-58-1,94221,"(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol",CC1=CC[C@H](C[C@@H]1O)C(=C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",BAVONGHXFVOKBV-ZJUUUORDSA-N,C10H16O,152.23,152.1201151,2.1,20.2,191,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID, CIS-",002305-26-2,504243,"(1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid",C1C=CC[C@@H]([C@@H]1C(=O)O)C(=O)O,"InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)/t5-,6+",ILUAAIDVFMVTAU-OLQVQODUSA-N,C8H10O4,170.16,170.0579088,0.4,74.6,207,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",003155-71-3,102375,"2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal",CC1=C(C(CCC1)(C)C)CC=C(C)C=O,"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3",FJCQUJKUMKZEMH-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.4,17.1,305,0,0,1,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"3-CYCLOHEXENE-1-METHANOL, 6-METHYL-",005259-31-4,110637,(6-methylcyclohex-3-en-1-yl)methanol,CC1CC=CCC1CO,"InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h2-3,7-9H,4-6H2,1H3",FNCRYRFSEYFWQZ-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.7,20.2,107,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-METHYL-, 1-METHYL-1-(4-METHYL-3-CYCLOHEXEN-1-YL)ETHYL ESTER",007774-65-4,522673,2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate,CC1=CCC(CC1)C(C)(C)OC(=O)C(C)C,"InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3",SMQUXKIIXFOJKI-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,3.5,26.3,287,0,0,2,4,16,,242.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-",007784-98-7,5463913,"(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CCC(=O)/C=C/C1C(C=CCC1(C)C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+",ZQJCPDKTEXSWTH-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.6,17.1,284,0,0,1,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (R)-",007785-53-7,442501,2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol,CC1=CC[C@@H](CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1",WUOACPNHFRMFPN-VIFPVBQESA-N,C10H18O,154.25,154.1357652,1.8,20.2,168,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-",010482-56-1,443162,2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol,CC1=CC[C@H](CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1",WUOACPNHFRMFPN-SECBINFHSA-N,C10H18O,154.25,154.1357652,1.8,20.2,168,0,1,1,1,11,,80-81.5 °C @ 5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-CYCLOHEXENE-1-PROPANOL, .GAMMA.,4-DIMETHYL-",015760-18-6,85903,3-(4-methylcyclohex-3-en-1-yl)butan-1-ol,CC1=CCC(CC1)C(C)CCO,"InChI=1S/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,10-12H,4-8H2,1-2H3",JTVKFAPEIBMMHX-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,2.6,20.2,160,0,1,1,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-",018479-65-7,86752,2-(4-methylcyclohexen-1-yl)propan-2-ol,CC1CCC(=CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h6,8,11H,4-5,7H2,1-3H3",HMXMWOXFKFLOGK-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2,20.2,168,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-CYCLOHEXENE-1-ETHANOL, .BETA.,4-DIMETHYL-",018479-68-0,86753,2-(4-methylcyclohex-3-en-1-yl)propan-1-ol,CC1=CCC(CC1)C(C)CO,"InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3",ZTYHGIAOVUPAAH-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.2,20.2,149,0,1,1,2,11,,115.00 to 116.00 °C. @ 10.00 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
3-CYCLOHEXENE-1-PROPANAL,022858-74-8,90847,3-cyclohex-3-en-1-ylpropanal,C1CC(CC=C1)CCC=O,"InChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h1-2,8-9H,3-7H2",OXUBYKXQGDQVQR-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,2,17.1,127,0,0,1,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(1-METHYLETHENYL)-, OXIME, (E)-",030950-27-7,5365782,(NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine,CC(=C)C1CCC(=CC1)/C=N/O,"InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+",XCOJIVIDDFTHGB-YRNVUSSQSA-N,C10H15NO,165.23,165.1153641,2.9,32.6,228,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",031499-72-6,35821,"4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one",CC1=CCCC(C1CCC(=O)C)(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3",JHJCHCSUEGPIGE-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,2.8,17.1,248,0,0,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 1-METHYL-4-(4-METHYLPENTENYL)-",066327-54-6,106684,1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)CCCC1=CCC(CC1)(C)C=O,"InChI=1S/C14H24O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h7,11-12H,4-6,8-10H2,1-3H3",MVTYXAVPKZRAMW-UHFFFAOYSA-N,C14H24O,208.34,208.1827154,3.8,17.1,240,0,0,1,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-PENTEN-3-ONE, 5-(2,4,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-",067801-30-3,6437270,"(E)-1-(2,4,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CCC(=O)/C=C/C1C(CC(=CC1C)C)C,"InChI=1S/C14H22O/c1-5-13(15)6-7-14-11(3)8-10(2)9-12(14)4/h6-8,11-12,14H,5,9H2,1-4H3/b7-6+",FDKVIOKCJHJJNX-VOTSOKGWSA-N,C14H22O,206.32,206.1670653,3.1,17.1,286,0,0,1,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3-BUTEN-2-ONE, 3-METHYL-4-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-",067801-31-4,6437271,"(E)-3-methyl-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC1C=C(CC(C1C)/C=C(\C)/C(=O)C)C,"InChI=1S/C14H22O/c1-9-6-10(2)12(4)14(7-9)8-11(3)13(5)15/h6,8,10,12,14H,7H2,1-5H3/b11-8+",UBAUJRANUAYEKE-DHZHZOJOSA-N,C14H22O,206.32,206.1670653,3,17.1,309,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"4-PENTEN-3-ONE, 5-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-",067801-32-5,6437272,"(E)-1-(3,5,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CCC(=O)/C=C/C1CC(=CC(C1C)C)C,"InChI=1S/C14H22O/c1-5-14(15)7-6-13-9-10(2)8-11(3)12(13)4/h6-8,11-13H,5,9H2,1-4H3/b7-6+",BDPMZGRDZVBAGE-VOTSOKGWSA-N,C14H22O,206.32,206.1670653,3.1,17.1,286,0,0,1,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3-CYCLOHEXENE-1-METHANOL, 2,4,6-TRIMETHYL-",068527-77-5,109458,"(2,4,6-trimethylcyclohex-3-en-1-yl)methanol",CC1CC(=CC(C1CO)C)C,"InChI=1S/C10H18O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,8-11H,5-6H2,1-3H3",DMXUBGVVJLVCPB-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2,20.2,160,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-PROPANONE, 1-(2,4-DIMETHYL-3-CYCLOHEXEN-1-YL)-2,2-DIMETHYL-",069929-17-5,112185,"1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-one",CC1C=C(CCC1C(=O)C(C)(C)C)C,"InChI=1S/C13H22O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h8,10-11H,6-7H2,1-5H3",ALXMEIMLYKTBHU-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,3.1,17.1,255,0,0,1,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-HEXEN-3-ONE, 5-METHYL-1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",070092-23-8,6437739,"(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one",CC1=CCCC(C1/C=C/C(=O)CC(C)C)(C)C,"InChI=1S/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+",QLDFUXZWCMSFEO-CMDGGOBGSA-N,C16H26O,234.38,234.1983654,4.2,17.1,331,0,0,1,4,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3-CYCLOHEXENE-1-METHANOL, 3(OR 4)-(4-METHYL-3-PENTENYL)-, ACETATE",072403-67-9,3085812,[(1S)-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate,CC(=CCCC1=CCC[C@@H](C1)COC(=O)C)C,"InChI=1S/C15H24O2/c1-12(2)6-4-7-14-8-5-9-15(10-14)11-17-13(3)16/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1",IIUKCYITROTKFB-HNNXBMFYSA-N,C15H24O2,236.35,236.17763,3.7,26.3,309,0,0,2,6,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-TERPINEOL,000098-55-5,17100,2-(4-methylcyclohex-3-en-1-yl)propan-2-ol,CC1=CCC(CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",WUOACPNHFRMFPN-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,1.8,20.2,168,0,1,1,1,11,,218-221 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",000127-51-5,5372174,"(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+",JRJBVWJSTHECJK-PKNBQFBNSA-N,C14H22O,206.32,206.1670653,3.3,17.1,318,0,0,1,2,15,,76.00 °C. @ 0.30 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(1-METHYLETHENYL)-",002111-75-3,16441,4-prop-1-en-2-ylcyclohexene-1-carbaldehyde,CC(=C)C1CCC(=CC1)C=O,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3",RUMOYJJNUMEFDD-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.6,17.1,201,0,0,1,2,11,,238.00 to 240.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (E)-",023726-91-2,5374527,"(E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one",C/C=C/C(=O)C1=C(CCCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+",BGTBFNDXYDYBEY-FNORWQNLSA-N,C13H20O,192.3,192.1514153,3.5,17.1,292,0,0,1,2,14,,200.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (Z)-",023726-92-3,1616260,"(Z)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one",C/C=C\C(=O)C1=C(CCCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5-",BGTBFNDXYDYBEY-ALCCZGGFSA-N,C13H20O,192.3,192.1514153,3.5,17.1,292,0,0,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"IONONE, METHYL-",001335-46-2,5371084,"(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)/C=C/C1C(=CCCC1(C)C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+",VPKMGDRERYMTJX-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.4,17.1,294,0,0,1,3,15,,238.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
(-)-A-Bisabolol,023089-26-1,442343,(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol,CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1",RGZSQWQPBWRIAQ-CABCVRRESA-N,C15H26O,222.37,222.1983654,3.8,20.2,284,0,1,1,4,16,,314.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL-3-PENTENYL)-, (",000515-69-5,1549992,(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol,CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1",RGZSQWQPBWRIAQ-LSDHHAIUSA-N,C15H26O,222.37,222.1983654,3.8,20.2,284,0,1,1,4,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 2,2,4-TRIMETHYL-",001726-47-2,102680,"2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde",CC1=CC(C(CC1)C=O)(C)C,"InChI=1S/C10H16O/c1-8-4-5-9(7-11)10(2,3)6-8/h6-7,9H,4-5H2,1-3H3",FDSNFOIVNIUNDP-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2,17.1,189,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-PENTADIEN-3-OL, 3-METHYL-1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",005208-93-5,6436846,"(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol",CC1=C(C(CCC1)(C)C)/C=C/C(C)(C=C)O,"InChI=1S/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+",PZGYHDPZANRCSM-PKNBQFBNSA-N,C15H24O,220.35,220.1827154,3.5,20.2,333,0,1,1,3,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-PROPANAL, .BETA.,4-DIMETHYL-",006784-13-0,110923,3-(4-methylcyclohex-3-en-1-yl)butanal,CC1=CCC(CC1)C(C)CC=O,"InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3",VJYFMQREUJXCQV-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.3,17.1,181,0,0,1,3,12,,234.00 to 236.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-ACETALDEHYDE, .ALPHA.,4-DIMETHYL-",029548-14-9,520440,2-(4-methylcyclohex-3-en-1-yl)propanal,CC1=CCC(CC1)C(C)C=O,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",UMEJBWOWZDRULR-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,17.1,170,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(4-HYDROXY-4-METHYLPENTYL)-",031906-04-4,91604,4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)(CCCC1=CCC(CC1)C=O)O,"InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3",ORMHZBNNECIKOH-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,1.7,37.3,241,0,1,2,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",035044-68-9,32052,"1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one",CC=CC(=O)C1=C(CCCC1(C)C)C,"InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3",BGTBFNDXYDYBEY-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.5,17.1,292,0,0,1,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(4-METHYL-3-PENTENYL)-",037677-14-8,93199,4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCC(CC1)C=O)C,"InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3",MQBIZQLCHSZBOI-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3,17.1,244,0,0,1,4,14,,228.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3-(4-HYDROXY-4-METHYLPENTYL)-",051414-25-6,162105,3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)(CCCC1=CCCC(C1)C=O)O,"InChI=1S/C13H22O2/c1-13(2,15)8-4-7-11-5-3-6-12(9-11)10-14/h5,10,12,15H,3-4,6-9H2,1-2H3",OLXLPKQCGWYRFQ-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,1.7,37.3,241,0,1,2,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3-(4-METHYL-3-PENTENYL)-",052475-89-5,103649,3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCCC(C1)C=O)C,"InChI=1S/C13H20O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3",RKXHUEKKGCBVSR-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3,17.1,244,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-PENTEN-1-ONE, 1-(5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)-",056973-85-4,92606,"1-(5,5-dimethylcyclohexen-1-yl)pent-4-en-1-one",CC1(CCC=C(C1)C(=O)CCC=C)C,"InChI=1S/C13H20O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,7H,1,5-6,8-10H2,2-3H3",OEVIJAZJVZDBQL-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.6,17.1,258,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",058102-02-6,93952,"2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal",CC1=CCCC(C1C=CC(C)C=O)(C)C,"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-8,10-11,13H,5,9H2,1-4H3",AISADLWIINCFJS-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.5,17.1,284,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3,5,6-TRIMETHYL-",067634-07-5,106735,"3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1C=C(CC(C1C)C=O)C,"InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3",DEMWVPUIZCCHPT-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,1.9,17.1,181,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",068555-62-4,109470,"2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal",CC1=CCCC(C1CC=C(C)C=O)(C)C,"InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3",JJHZLPJQTHPGEI-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.4,17.1,294,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3,6-DIMETHYL-",067801-65-4,95644,"3,6-dimethylcyclohex-3-ene-1-carbaldehyde",CC1CC=C(CC1C=O)C,"InChI=1S/C9H14O/c1-7-3-4-8(2)9(5-7)6-10/h3,6,8-9H,4-5H2,1-2H3",YLGCZMOAYIGIPX-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.6,17.1,158,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3,5-DIMETHYL-",068039-48-5,97854,"3,5-dimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(CC(=C1)C)C=O,"InChI=1S/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3",ZHDQGHCZWWDMRS-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.4,17.1,158,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-",000079-70-9,5375215,"(E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one",CC1CCC(=C(C1(C)C)/C=C/C(=O)C)C,"InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+",BGKCUGPVLVNPSG-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.2,17.1,318,0,0,1,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 2,4,6-TRIMETHYL-",001423-46-7,101150,"2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(=CC(C1C=O)C)C,"InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3",YJSUCBQWLKRPDL-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,1.9,17.1,181,0,0,1,1,11,,214.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHENENE-1-CARBOXALDEHYDE, DIMETHYL-",027939-60-2,3034463,"1,2-dimethylcyclohex-3-ene-1-carbaldehyde",CC1C=CCCC1(C)C=O,"InChI=1S/C9H14O/c1-8-5-3-4-6-9(8,2)7-10/h3,5,7-8H,4,6H2,1-2H3",CYGGTUUCLIFNIU-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.9,17.1,160,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE",068039-49-6,93375,"2,4-dimethylcyclohex-3-ene-1-carbaldehyde",CC1C=C(CCC1C=O)C,"InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3",MZZRKEIUNOYYDF-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.4,17.1,158,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 1,2,4(OR 1,3,5)-TRIMETHYL-",071832-78-5,172912,"1,2,4-trimethylcyclohex-3-ene-1-carbaldehyde",CC1C=C(CCC1(C)C=O)C,"InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)9(2)6-8/h6-7,9H,4-5H2,1-3H3",MXWYNNSXCNWNON-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,1.8,17.1,193,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
SHIKIMIC ACID,000138-59-0,8742,"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",JXOHGGNKMLTUBP-HSUXUTPPSA-N,C7H10O5,174.15,174.0528234,-1.7,98,222,0,4,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID",000088-98-2,16823,"cyclohex-4-ene-1,2-dicarboxylic acid",C1C=CCC(C1C(=O)O)C(=O)O,"InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)",ILUAAIDVFMVTAU-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,0.4,74.6,207,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-CARBOXALDEHYDE, 6-METHYL-",000089-94-1,101550,6-methylcyclohex-3-ene-1-carbaldehyde,CC1CC=CCC1C=O,"InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-3,6-8H,4-5H2,1H3",BOPCAWBPVSVBMM-UHFFFAOYSA-N,C8H12O,124.18,124.088815,1.6,17.1,127,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"2-CYCLOHEXENE-1-OCTANOIC ACID, 5(OR 6)-CARBOXY-4-HEXYL-",053980-88-4,105841,5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid,CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O,"InChI=1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)",RYKIXDBAIYMFDV-UHFFFAOYSA-N,C21H36O4,352.5,352.2613596,6.7,74.6,416,0,2,4,14,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-METHANOL, 3,5-DIMETHYL-",067634-16-6,106742,"(3,5-dimethylcyclohex-3-en-1-yl)methanol",CC1CC(CC(=C1)C)CO,"InChI=1S/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9-10H,4-6H2,1-2H3",GSDQPHZCCNYHEF-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,1.6,20.2,138,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-METHANOL, 2,4-DIMETHYL-",067634-17-7,106743,"(2,4-dimethylcyclohex-3-en-1-yl)methanol",CC1C=C(CCC1CO)C,"InChI=1S/C9H16O/c1-7-3-4-9(6-10)8(2)5-7/h5,8-10H,3-4,6H2,1-2H3",XGRCZWYTJSFHET-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,1.6,20.2,138,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENENITRILE, 3-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",072214-33-6,166258,"3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile",CC1=C(C(CCC1)(C)C)C=CC#N,"InChI=1S/C12H17N/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7H,4,6,8H2,1-3H3",KRFUZADFDPVFRO-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.9,23.8,296,0,0,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-NITROCYCLOHEX-1-ENE,002562-37-0,75713,1-nitrocyclohexene,C1CCC(=CC1)[N+](=O)[O-],"InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2",DJBRXNRKYAWTBL-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,1.8,45.8,146,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BETA-IONONE,014901-07-6,26955,"4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one",CC1=C(C(CCC1)(C)C)C=CC(=O)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",PSQYTAPXSHCGMF-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,2.9,17.1,292,0,0,1,2,14,"greater than 235 °F (NTP, 1992)","284 °F at 18 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ALPHA,ALPHA,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL 1-ACETATE",000080-26-2,111037,2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate,CC1=CCC(CC1)C(C)(C)OC(=O)C,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",IGODOXYLBBXFDW-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,2.4,26.3,251,0,0,2,3,14,,115.00 °C. @ 2.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, ACETATE, (R)-",007785-54-8,11469649,2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate,CC1=CC[C@@H](CC1)C(C)(C)OC(=O)C,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m0/s1",IGODOXYLBBXFDW-NSHDSACASA-N,C12H20O2,196.29,196.1463299,2.4,26.3,251,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANONE, 4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-",017283-81-7,519382,"4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one",CC1=C(C(CCC1)(C)C)CCC(=O)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3",QJJDNZGPQDGNDX-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,2.7,17.1,258,0,0,1,3,14,,261.00 to 262.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-CARBONITRILE, 4-(4-METHYL-3-PENTENYL)-",021690-43-7,89014,4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile,CC(=CCCC1=CCC(CC1)C#N)C,"InChI=1S/C13H19N/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,13H,3,5,7-9H2,1-2H3",YLVMNUKZYAGOOK-UHFFFAOYSA-N,C13H19N,189.3,189.1517496,3.2,23.8,284,0,0,1,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, ACETATE, (S)-",058206-95-4,93317,2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate,CC1=CC[C@H](CC1)C(C)(C)OC(=O)C,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m1/s1",IGODOXYLBBXFDW-LLVKDONJSA-N,C12H20O2,196.29,196.1463299,2.4,26.3,251,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-CARBONITRILE, 3-(4-METHYL-3-PENTENYL)-",068084-04-8,107099,3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile,CC(=CCCC1=CCCC(C1)C#N)C,"InChI=1S/C13H19N/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,13H,3-4,6,8-9H2,1-2H3",GEJOPKQYKGEUFA-UHFFFAOYSA-N,C13H19N,189.3,189.1517496,3.2,23.8,284,0,0,1,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, [R-(E)]-",000127-42-4,16751505,"(E)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one",CCC(=O)/C=C/[C@H]1C(=CCCC1(C)C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m0/s1",VPKMGDRERYMTJX-XEHSLEBBSA-N,C14H22O,206.32,206.1670653,3.4,17.1,294,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-",007779-30-8,61071,"1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)C=CC1C(=CCCC1(C)C)C,"InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",VPKMGDRERYMTJX-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.4,17.1,294,0,0,1,3,15,"greater than 200 °F (NTP, 1992)","291 °F at 16 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-",000079-77-6,638014,"(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one",CC1=C(C(CCC1)(C)C)/C=C/C(=O)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",PSQYTAPXSHCGMF-BQYQJAHWSA-N,C13H20O,192.3,192.1514153,2.9,17.1,292,0,0,1,2,14,"greater than 235 °F (NTP, 1992)","284 °F at 18 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IONONE,008013-90-9,24680,"4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC1=CCCC(C1C=CC(=O)C)(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",UZFLPKAIBPNNCA-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3,17.1,282,0,0,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, FORMATE",002153-26-6,16537,2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate,CC1=CCC(CC1)C(C)(C)OC=O,"InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3",IPYLQIQMGUZFCK-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,2.4,26.3,216,0,0,2,3,13,,213.00 to 225.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2,6,6-TRIMETHYL-, METHYL ESTER",028043-10-9,119800,"methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate",CC1=CCCC(C1C(=O)OC)(C)C,"InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h6,9H,5,7H2,1-4H3",NVAGRWXDIIKUBU-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,2.6,26.3,238,0,0,2,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-ETHYL-6,6-DIMETHYL-, ETHYL ESTER",057934-97-1,93847,"ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate",CCC1=CCCC(C1C(=O)OCC)(C)C,"InChI=1S/C13H22O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h8,11H,5-7,9H2,1-4H3",CQHUPYQUERYPML-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,3.4,26.3,264,0,0,2,4,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2,3,6,6-TETRAMETHYL-, ETHYL ESTER",077851-07-1,166500,"ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate",CCOC(=O)C1C(=C(CCC1(C)C)C)C,"InChI=1S/C13H22O2/c1-6-15-12(14)11-10(3)9(2)7-8-13(11,4)5/h11H,6-8H2,1-5H3",GUAPMIRFNRZYFI-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,2.9,26.3,287,0,0,2,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-2-CYCLOHEXEN-1-YL)-",000079-69-6,5371002,"(E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one",CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C,"InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+",JZQOJFLIJNRDHK-CMDGGOBGSA-N,C14H22O,206.32,206.1670653,3.2,17.1,307,0,0,1,2,15,,110.00 to 112.00 °C. @ 3.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-Cyclohexene-1-carbonitrile,100-45-8,66013,cyclohex-3-ene-1-carbonitrile,C1CC(CC=C1)C#N,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2",GYBNBQFUPDFFQX-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.5,23.8,138,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexene, 1,2-dichlorooctafluoro-",336-19-6,67641,"1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene",C1(=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)Cl)Cl,"InChI=1S/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10",BICOGOBTBGYGFA-UHFFFAOYSA-N,C6Cl2F8,294.95,293.9249307,3.8,0,324,0,0,8,0,16,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexene, decafluoro-",355-75-9,67738,"1,2,3,3,4,4,5,5,6,6-decafluorocyclohexene",C1(=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F)F,"InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10",ZFFLXJVVPHACEG-UHFFFAOYSA-N,C6F10,262.05,261.9840316,2.7,0,316,0,0,10,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cyclohexenecarboxaldehyde,1321-16-0,5184540,cyclohexene-1-carbaldehyde,C1CCC(=CC1)C=O,"InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2",OANSOJSBHVENEI-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.6,17.1,114,0,0,1,1,8,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (1S)-",2438-10-0,2724161,(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol,CC1=CC[C@@](CC1)(C(C)C)O,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1",WRYLYDPHFGVWKC-SNVBAGLBSA-N,C10H18O,154.25,154.1357652,2.2,20.2,170,0,1,1,1,11,,211.00 to 213.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexene, 3-chloro-",2441-97-6,17120,3-chlorocyclohexene,C1CC=CC(C1)Cl,"InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2",LNGQLHZIYFQUIR-UHFFFAOYSA-N,C6H9Cl,116.59,116.039278,2.3,0,76,0,0,0,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-Cyclohexene-1-carboxylic acid,4771-80-6,20903,cyclohex-3-ene-1-carboxylic acid,C1CC(CC=C1)C(=O)O,"InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)",VUSWCWPCANWBFG-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,1.3,37.3,138,0,1,2,1,9,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Retinoic acid, (9Z)-",3/8/00,449171,"(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",SHGAZHPCJJPHSC-ZVCIMWCZSA-N,C20H28O2,300.4,300.2089301,6.3,37.3,567,0,1,2,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
Olibanum gum,7/5/50,4197136,"6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",C1=C(C(C(C(C1N)O)O)O)CO,"InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2",XPHOBMULWMGEBA-UHFFFAOYSA-N,C7H13NO4,175.18,175.0844579,-3.1,107,194,0,5,5,1,12,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"3-Cyclohexene-1-carboxylic acid, 1-methyl-",16646-42-7,86046,1-methylcyclohex-3-ene-1-carboxylic acid,CC1(CCC=CC1)C(=O)O,"InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)",FKOPGCJIAFSDAO-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,1.6,37.3,172,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (S)-(-)-",18031-40-8,2724159,(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde,CC(=C)[C@H]1CCC(=CC1)C=O,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1",RUMOYJJNUMEFDD-SNVBAGLBSA-N,C10H14O,150.22,150.1044651,2.6,17.1,201,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, (4S)-",18457-55-1,369312,[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol,CC(=C)[C@H]1CCC(=CC1)CO,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1",NDTYTMIUWGWIMO-SNVBAGLBSA-N,C10H16O,152.23,152.1201151,2.1,20.2,179,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclohexene-1-carboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,5-dihydroxy-, (3S,4R,5S)-",,69470,cyclohexene-1-carboxylic acid,C1CCC(=CC1)C(=O)O,"InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)",NMEZJSDUZQOPFE-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,1.7,37.3,147,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, nanoemulsion",,317542,cyclohexen-1-ylmethanol,C1CCC(=CC1)CO,"InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2",QBJOHGAEIAUULA-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.1,20.2,94,0,1,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Cyclohexen-1-ol, 3-((1S,3S)-3-bromo-1,2,2-trimethylcyclopentyl)-6-chloro-6-methyl-, (1R,6S)-",,556685,cyclohex-3-en-1-ol,C1CC(CC=C1)O,"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2",ABZZOPIABWYXSN-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.1,20.2,76,0,1,1,0,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PIPERIDINE,000110-89-4,8082,piperidine,C1CCNCC1,"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",NQRYJNQNLNOLGT-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.8,12,30,0,1,1,0,6,"37.4 to 61 °F (EPA, 1998)","223 °F at 760 mmHg (EPA, 1998)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-ETHYLPIPERIDINE,000766-09-6,13007,1-ethylpiperidine,CCN1CCCCC1,"InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3",HTLZVHNRZJPSMI-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,2,3.2,55,0,0,1,1,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYLPIPERIDINE,000109-05-7,7974,2-methylpiperidine,CC1CCCCN1,"InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3",NNWUEBIEOFQMSS-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.1,12,52,0,1,1,0,7,,117.00 to 119.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLPIPERIDINE",000504-03-0,68843,"2,6-dimethylpiperidine",CC1CCCC(N1)C,"InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3",SDGKUVSVPIIUCF-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.5,12,62,0,1,1,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYLPIPERIDINE,000626-67-5,12291,1-methylpiperidine,CN1CCCCC1,"InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3",PAMIQIKDUOTOBW-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.3,3.2,46,0,0,1,0,7,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
4-METHYLPIPERIDINE,000626-58-4,69381,4-methylpiperidine,CC1CCNCC1,"InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3",UZOFELREXGAFOI-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.1,12,46,0,1,1,0,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PIPERIDINE-D11,143317-90-2,16212919,"1,2,2,3,3,4,4,5,5,6,6-undecadeuteriopiperidine",[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2/hD",NQRYJNQNLNOLGT-KTIYLIMOSA-N,C5H11N,96.21,96.15819356,0.8,12,30,0,1,1,0,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PIPERIDINE, 3-METHYL-",000626-56-2,79081,3-methylpiperidine,CC1CCCNC1,"InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3",JEGMWWXJUXDNJN-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.1,12,52,0,1,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PIPERIDINE, 4-CHLORO-1-METHYL-",005570-77-4,79342,4-chloro-1-methylpiperidine,CN1CCC(CC1)Cl,"InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3",MYGXGCCFTPKWIH-UHFFFAOYSA-N,C6H12ClN,133.62,133.0658271,1.4,3.2,66,0,0,1,0,8,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,6,6-TETRAMETHYLPIPERIDINE",000768-66-1,13035,"2,2,6,6-tetramethylpiperidine",CC1(CCCC(N1)(C)C)C,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3",RKMGAJGJIURJSJ-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.1,12,111,0,1,1,0,10,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-AMINOPIPERIDINE,002213-43-6,16658,piperidin-1-amine,C1CCN(CC1)N,InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2,LWMPFIOTEAXAGV-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.3,29.3,48,0,1,2,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-4-METHYLAMINO PIPERIDINE,073579-08-5,566323,"N,1-dimethylpiperidin-4-amine",CNC1CCN(CC1)C,"InChI=1S/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3",XRYGCVVVDCEPRL-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.4,15.3,75,0,1,2,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
1-(2-AMINOETHYL)PIPERIDINE,027578-60-5,33944,2-piperidin-1-ylethanamine,C1CCN(CC1)CCN,InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2,CJNRGSHEMCMUOE-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.4,29.3,67,0,1,2,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,2,2,6,6-PENTAMETHYLPIPERIDINE",000079-55-0,6603,"1,2,2,6,6-pentamethylpiperidine",CC1(CCCC(N1C)(C)C)C,"InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3",XULIXFLCVXWHRF-UHFFFAOYSA-N,C10H21N,155.28,155.1673997,2.3,3.2,131,0,0,1,0,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYLPIPERIDINE-4-METHYLAMINE,007149-42-0,81574,(1-methylpiperidin-4-yl)methanamine,CN1CCC(CC1)CN,"InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3",AGTPSAZJSOQXHJ-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.1,29.3,75,0,1,2,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-AMINOPIPERIDINE,013035-19-3,424361,piperidin-4-amine,C1CNCCC1N,"InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2",BCIIMDOZSUCSEN-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.6,38.1,48,0,2,2,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PIPERIDINE, 2-ETHYL-",001484-80-6,94205,2-ethylpiperidine,CCC1CCCCN1,"InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3",QBBKKFZGCDJDQK-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.6,12,61,0,1,1,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PIPERIDINE, 3,5-DIMETHYL-",035794-11-7,118259,"3,5-dimethylpiperidine",CC1CC(CNC1)C,"InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3",IDWRJRPUIXRFRX-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.5,12,62,0,1,1,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PIPERIDINE, 4-(1,1-DIMETHYLETHYL)-",001882-42-4,74661,4-tert-butylpiperidine,CC(C)(C)C1CCNCC1,"InChI=1S/C9H19N/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3",HAKKTZOUPCDMCN-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.3,12,95,0,1,1,1,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-ETHYLPIPERIDINE HYPOPHOSPHITE,145060-63-5,11492035,1-ethylpiperidine;phosphonous acid,CCN1CCCCC1.OPO,"InChI=1S/C7H15N.H3O2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;1-3H",BNCZSWZTYPTERM-UHFFFAOYSA-N,C7H18NO2P,179.2,179.1075158,,43.7,58,0,2,3,1,11,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE",036768-62-4,37524,"2,2,6,6-tetramethylpiperidin-4-amine",CC1(CC(CC(N1)(C)C)N)C,"InChI=1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3",FTVFPPFZRRKJIH-UHFFFAOYSA-N,C9H20N2,156.27,156.1626486,0.6,38.1,134,0,2,2,0,11,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
1-(2-CHLOROETHYL)PIPERIDINE MONOHYDROCHLORIDE,002008-75-5,74826,1-(2-chloroethyl)piperidine;hydrochloride,C1CCN(CC1)CCCl.Cl,InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H,VFLQQZCRHPIGJU-UHFFFAOYSA-N,C7H15Cl2N,184.1,183.0581549,,3.2,69,0,1,1,2,10,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0
"BORON, TRIFLUORO(PIPERIDINE)-, (T-4)-",000592-39-2,168925,piperidine;trifluoroborane,B(F)(F)F.C1CCNCC1,"InChI=1S/C5H11N.BF3/c1-2-4-6-5-3-1;2-1(3)4/h6H,1-5H2;",DBIWHDFLQHGOCS-UHFFFAOYSA-N,C5H11BF3N,152.96,153.093664,,12,38,0,1,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-AMINO-1,2,2,6,6-PENTAMETHYLPIPERIDINE",040327-96-6,693792,"1,2,2,6,6-pentamethylpiperidin-4-amine",CC1(CC(CC(N1C)(C)C)N)C,"InChI=1S/C10H22N2/c1-9(2)6-8(11)7-10(3,4)12(9)5/h8H,6-7,11H2,1-5H3",CGXOAAMIQPDTPE-UHFFFAOYSA-N,C10H22N2,170.3,170.1782987,1.1,29.3,155,0,1,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PIPERIDINE, HYDROCHLORIDE",006091-44-7,2723721,piperidine;hydrochloride,C1CCNCC1.Cl,"InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H",VEIWYFRREFUNRC-UHFFFAOYSA-N,C5H12ClN,121.61,121.0658271,,12,30,0,2,1,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-NITROSO-3-PIPECOLINE,013603-07-1,26131,3-methyl-1-nitrosopiperidine,CC1CCCN(C1)N=O,"InChI=1S/C6H12N2O/c1-6-3-2-4-8(5-6)7-9/h6H,2-5H2,1H3",ADDORFBRRWECKX-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,1,32.7,105,0,0,3,0,9,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-NITROSOPIPERIDINE,000100-75-4,7526,1-nitrosopiperidine,C1CCN(CC1)N=O,InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2,UWSDONTXWQOZFN-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,0.4,32.7,78,0,0,3,0,8,,"423 °F at 721 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-FORMYLPIPERIDINE,002591-86-8,17429,piperidine-1-carbaldehyde,C1CCN(CC1)C=O,"InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",FEWLNYSYJNLUOO-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0,20.3,76,0,0,1,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-1-ETHYLPIPERIDINE,006789-94-2,98094,1-ethylpiperidin-3-amine,CCN1CCCC(C1)N,"InChI=1S/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3",WAKUKXKZEXFXJP-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.2,29.3,83,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TEMPOL,002226-96-2,137994,,CC1(CC(CC(N1[O])(C)C)O)C,"InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3",UZFMOKQJFYMBGY-UHFFFAOYSA-N,C9H18NO2,172.24,172.1337538,0.9,24.5,159,0,1,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,2,6,6-TETRAMETHYL-4-PIPERIDINOL",002403-88-5,75471,"2,2,6,6-tetramethylpiperidin-4-ol",CC1(CC(CC(N1)(C)C)O)C,"InChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3",VDVUCLWJZJHFAV-UHFFFAOYSA-N,C9H19NO,157.25,157.1466642,0.9,32.3,136,0,2,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,2,6,6-TETRAMETHYL-4-PIPERIDYL METHACRYLATE",031582-45-3,9815965,"(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate",CC(=C)C(=O)OC1CC(NC(C1)(C)C)(C)C,"InChI=1S/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3",UFLXKQBCEYNCDU-UHFFFAOYSA-N,C13H23NO2,225.33,225.172879,2.4,38.3,289,0,1,3,3,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"PIPERIDINE, 5-ETHYL-2-METHYL-",000104-89-2,7727,5-ethyl-2-methylpiperidine,CCC1CCC(NC1)C,"InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3",XOFNHZHCGBPVGJ-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,1.9,12,80,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PIPERIDINEETHANOL,001484-84-0,15144,2-piperidin-2-ylethanol,C1CCNC(C1)CCO,"InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2",PTHDBHDZSMGHKF-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.4,32.3,75,0,2,2,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-PIPERIDINOL, 1,2,2,6,6-PENTAMETHYL-",002403-89-6,75472,"1,2,2,6,6-pentamethylpiperidin-4-ol",CC1(CC(CC(N1C)(C)C)O)C,"InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3",NWHNXXMYEICZAT-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,1.4,23.5,157,0,1,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,2-ETHANEDIAMINE, N-[2-(1-PIPERIDINYL)ETHYL]-",005625-69-4,79725,"N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine",C1CCN(CC1)CCNCCN,"InChI=1S/C9H21N3/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-10H2",QOAHNQKCWITUJK-UHFFFAOYSA-N,C9H21N3,171.28,171.1735477,0.3,41.3,99,0,2,3,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
".BETA.-ALANINE, N-(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-, DODECYL ESTER",119530-69-7,3086594,"dodecyl 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate",CCCCCCCCCCCCOC(=O)CCNC1CC(NC(C1)(C)C)(C)C,"InChI=1S/C24H48N2O2/c1-6-7-8-9-10-11-12-13-14-15-18-28-22(27)16-17-25-21-19-23(2,3)26-24(4,5)20-21/h21,25-26H,6-20H2,1-5H3",HBFNPDZOVCWRLE-UHFFFAOYSA-N,C24H48N2O2,396.6,396.3715788,7.1,50.4,405,0,2,4,16,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
1-CYANOACETYLPIPERIDINE,015029-30-8,84765,3-oxo-3-piperidin-1-ylpropanenitrile,C1CCN(CC1)C(=O)CC#N,"InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2",ANLQHFYDQPMDJY-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,0.5,44.1,186,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-((IODOACETYL)AMINO)-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY",025713-24-0,2724305,,CC1(CC(CC(N1[O])(C)C)NC(=O)CI)C,"InChI=1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15)",UCTVRHAKQRFPEZ-UHFFFAOYSA-N,C11H20IN2O2,339.19,339.05695,1.6,33.3,261,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE-D17-1-OXYL",100326-46-3,16213359,,[2H]C1(C(C(C(N(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])([2H])O)[2H],"InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D",UZFMOKQJFYMBGY-DEMDKEALSA-N,C9H18NO2,189.35,189.2404585,0.9,24.5,159,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYL-2-PIPERIDINECARBOXYLIC ACID,035677-87-3,4472712,1-acetylpiperidine-2-carboxylic acid,CC(=O)N1CCCCC1C(=O)O,"InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)",JACZWLDAHFCGCC-UHFFFAOYSA-N,C8H13NO3,171.19,171.0895433,-0.3,57.6,202,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLPIPERIDINE-4-CARBOXYLIC ACID,025503-90-6,117255,1-acetylpiperidine-4-carboxylic acid,CC(=O)N1CCC(CC1)C(=O)O,"InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)",WFCLWJHOKCQYOQ-UHFFFAOYSA-N,C8H13NO3,171.19,171.0895433,-0.3,57.6,194,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
1-PIPERIDINEPROPANENITRILE,003088-41-3,18338,3-piperidin-1-ylpropanenitrile,C1CCN(CC1)CCC#N,"InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2",YZICFVIUVMCCOC-UHFFFAOYSA-N,C8H14N2,138.21,138.1156985,0.8,27,127,0,0,2,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERIDINYLOXY, 4-(ACETYLAMINO)-2,2,6,6-TETRAMETHYL-",014691-89-5,518988,,CC(=O)NC1CC(N(C(C1)(C)C)[O])(C)C,"InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)",UXBLSWOMIHTQPH-UHFFFAOYSA-N,C11H21N2O2,213.3,213.1603029,0.9,33.3,243,0,1,2,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOCYANIC ACID, COMPD. WITH PIPERIDINE (1:1)",022205-64-7,168031,piperidine;thiocyanic acid,C1CCNCC1.C(#N)S,"InChI=1S/C5H11N.CHNS/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;3H",HHUXWFCTZRENLW-UHFFFAOYSA-N,C6H12N2S,144.24,144.0721196,,36.8,62,0,2,3,0,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BOC-PIPERIDINE-2-CARBALDEHYDE,157634-02-1,10656219,tert-butyl 2-formylpiperidine-1-carboxylate,CC(C)(C)OC(=O)N1CCCCC1C=O,"InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3",KZNDGAGWQPGYTB-UHFFFAOYSA-N,C11H19NO3,213.27,213.1364935,1.5,46.6,245,0,0,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PIPERIDINEETHANOL,003040-44-6,18232,2-piperidin-1-ylethanol,C1CCN(CC1)CCO,"InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2",KZTWONRVIPPDKH-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,1,23.5,69,0,1,2,2,9,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-(AMINOMETHYL)PIPERIDINE,007144-05-0,23527,piperidin-4-ylmethanamine,C1CNCCC1CN,"InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2",LTEKQAPRXFBRNN-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.4,38.1,57,0,2,2,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-HYDROXYPIPERIDINE,005382-16-1,79341,piperidin-4-ol,C1CNCCC1O,"InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2",HDOWRFHMPULYOA-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.3,32.3,50,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TEMPO,002564-83-2,2724126,,CC1(CCCC(N1[O])(C)C)C,"InChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3",QYTDEUPAUMOIOP-UHFFFAOYSA-N,C9H18NO,156.25,156.1388392,1.4,4.2,136,0,0,1,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-PIPERIDINEMETHANOL,006457-49-4,420771,piperidin-4-ylmethanol,C1CNCCC1CO,"InChI=1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2",XBXHCBLBYQEYTI-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,-0.1,32.3,59,0,2,2,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-HYDROXY-1-METHYLPIPERIDINE,000106-52-5,66048,1-methylpiperidin-4-ol,CN1CCC(CC1)O,"InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3",BAUWRHPMUVYFOD-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.1,23.5,66,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOXYPEPTIDASE A,011075-17-5,44395719,"2-hexyl-6-(hydroxymethyl)piperidine-3,4,5-triol",CCCCCCC1C(C(C(C(N1)CO)O)O)O,"InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3",CNCWFVJLRHKDJX-UHFFFAOYSA-N,C12H25NO4,247.33,247.1783583,0.6,93,215,0,5,5,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1-PIPERIDINEETHANOL, 4-HYDROXY-2,2,6,6-TETRAMETHYL-",052722-86-8,104301,"1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol",CC1(CC(CC(N1CCO)(C)C)O)C,"InChI=1S/C11H23NO2/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13/h9,13-14H,5-8H2,1-4H3",STEYNUVPFMIUOY-UHFFFAOYSA-N,C11H23NO2,201.31,201.172879,0.7,43.7,183,0,2,3,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ISONIPECOTIC ACID,000498-94-2,3773,piperidine-4-carboxylic acid,C1CNCCC1C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)",SRJOCJYGOFTFLH-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-3,49.3,108,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-PIPECOLIC ACID,004043-87-2,849,piperidine-2-carboxylic acid,C1CCNC(C1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",HXEACLLIILLPRG-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-2.3,49.3,114,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PIPERIDINEMETHANOL,003433-37-2,94263,piperidin-2-ylmethanol,C1CCNC(C1)CO,"InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2",PRAYXGYYVXRDDW-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0,32.3,65,0,2,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-PIPECOLINIC ACID,001723-00-8,736316,(2R)-piperidine-2-carboxylic acid,C1CCN[C@H](C1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1",HXEACLLIILLPRG-RXMQYKEDSA-N,C6H11NO2,129.16,129.0789786,-2.3,49.3,114,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-1-METHYLPIPERIDINE,003554-74-3,98016,1-methylpiperidin-3-ol,CN1CCCC(C1)O,"InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3",UKANCZCEGQDKGF-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.1,23.5,74,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-TEMPO,014691-88-4,550942,,CC1(CC(CC(N1[O])(C)C)N)C,"InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3",XUXUHDYTLNCYQQ-UHFFFAOYSA-N,C9H19N2O,171.26,171.1497382,0.6,30.3,159,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PIPERIDINECARBOXAMIDE,002158-03-4,72887,piperidine-1-carboxamide,C1CCN(CC1)C(=O)N,"InChI=1S/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)",JSPCTNUQYWIIOT-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,0.1,46.3,108,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERIDINECARBOXAMIDE,039546-32-2,3772,piperidine-4-carboxamide,C1CNCCC1C(=O)N,"InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)",DPBWFNDFMCCGGJ-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-1.4,55.1,108,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(DIMETHYLAMINO)-1,2,2,6,6-PENTAMETHYLPIPERIDINE",036177-86-3,5004995,"N,N,1,2,2,6,6-heptamethylpiperidin-4-amine",CC1(CC(CC(N1C)(C)C)N(C)C)C,"InChI=1S/C12H26N2/c1-11(2)8-10(13(5)6)9-12(3,4)14(11)7/h10H,8-9H2,1-7H3",VEBFUHQIQCLTJD-UHFFFAOYSA-N,C12H26N2,198.35,198.2095988,2.1,6.5,188,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BOC-4-PIPERIDINEMETHANOL,123855-51-6,2764081,tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate,CC(C)(C)OC(=O)N1CCC(CC1)CO,"InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3",CTEDVGRUGMPBHE-UHFFFAOYSA-N,C11H21NO3,215.29,215.1521435,1.2,49.8,214,0,1,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HYDROXY-2-PIPERIDINECARBOXYLIC ACID,115819-92-6,269025,1-hydroxypiperidine-2-carboxylic acid,C1CCN(C(C1)C(=O)O)O,"InChI=1S/C6H11NO3/c8-6(9)5-3-1-2-4-7(5)10/h5,10H,1-4H2,(H,8,9)",SEWARTPIJFHCRP-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-1.5,60.8,137,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PIPERIDINE-3-CARBOXAMIDE,004138-26-5,92980,piperidine-3-carboxamide,C1CC(CNC1)C(=O)N,"InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)",BVOCPVIXARZNQN-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-1.3,55.1,114,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PIPERIDINE, 1-ACETYL-",000618-42-8,12058,1-piperidin-1-ylethanone,CC(=O)N1CCCCC1,"InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3",KDISMIMTGUMORD-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.6,20.3,105,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERIDINEETHANOL,000622-26-4,73953,2-piperidin-4-ylethanol,C1CNCCC1CCO,"InChI=1S/C7H15NO/c9-6-3-7-1-4-8-5-2-7/h7-9H,1-6H2",LDSQQXKSEFZAPE-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.2,32.3,69,0,2,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PIPERIDINE, 1-ACETYL-3-METHYL-",004593-16-2,107304,1-(3-methylpiperidin-1-yl)ethanone,CC1CCCN(C1)C(=O)C,"InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3",XKFPNHDGLSYZRC-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1,20.3,133,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERIDINEPROPANOL,007037-49-2,81497,3-piperidin-4-ylpropan-1-ol,C1CNCCC1CCCO,"InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2",DBIMLJDSPUCGGY-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,0.6,32.3,79,0,2,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERIDINEPROPANOIC ACID, ETHYL ESTER",019653-33-9,88183,ethyl 3-piperidin-1-ylpropanoate,CCOC(=O)CCN1CCCCC1,"InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3",MPAWVDTVWPPKJQ-UHFFFAOYSA-N,C10H19NO2,185.26,185.1415788,1.3,29.5,153,0,0,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PIPERIDINEPROPANOL, 1-(2-HYDROXYETHYL)-",019780-85-9,88244,3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-1-ol,C1CN(CCC1CCCO)CCO,"InChI=1S/C10H21NO2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h10,12-13H,1-9H2",QCZXNEGHMZUDNS-UHFFFAOYSA-N,C10H21NO2,187.28,187.1572289,0.4,43.7,122,0,2,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-PIPERIDINEPROPANOIC ACID,026371-07-3,117782,3-piperidin-1-ylpropanoic acid,C1CCN(CC1)CCC(=O)O,"InChI=1S/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11)",LPDGWMLCUHULJF-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,-1.7,40.5,130,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-",040908-37-0,100241,"N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide",CC(=O)NC1CC(NC(C1)(C)C)(C)C,"InChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)",HVXYQAREJSKQNE-UHFFFAOYSA-N,C11H22N2O,198.31,198.1732133,0.9,41.1,217,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-2,2,6,6-TETRAMETHYL-",065402-65-5,103374,"4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid",CC1(CC(CC(N1)(C)C)(C(=O)O)O)C,"InChI=1S/C10H19NO3/c1-8(2)5-10(14,7(12)13)6-9(3,4)11-8/h11,14H,5-6H2,1-4H3,(H,12,13)",UWDMKTDPDJCJOP-UHFFFAOYSA-N,C10H19NO3,201.26,201.1364935,-2,69.6,242,0,3,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERIDINEPROPANOIC ACID, 3-METHYL-, ETHYL ESTER",070644-49-4,116670,ethyl 3-(3-methylpiperidin-1-yl)propanoate,CCOC(=O)CCN1CCCC(C1)C,"InChI=1S/C11H21NO2/c1-3-14-11(13)6-8-12-7-4-5-10(2)9-12/h10H,3-9H2,1-2H3",AATMBDYQEPKVEN-UHFFFAOYSA-N,C11H21NO2,199.29,199.1572289,1.7,29.5,182,0,0,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, OXO[(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)AMINO]-, HYDRAZIDE",122035-71-6,3086601,"2-hydrazinyl-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide",CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NN)C,"InChI=1S/C11H22N4O2/c1-10(2)5-7(6-11(3,4)15-10)13-8(16)9(17)14-12/h7,15H,5-6,12H2,1-4H3,(H,13,16)(H,14,17)",NTKWXRSEJQGLRX-UHFFFAOYSA-N,C11H22N4O2,242.32,242.174276,0.4,96.3,309,0,4,4,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
TEMPO METHACRYLATE,015051-46-4,9859588,,CC(=C)C(=O)OC1CC(N(C(C1)(C)C)[O])(C)C,"InChI=1S/C13H22NO3/c1-9(2)11(15)17-10-7-12(3,4)14(16)13(5,6)8-10/h10H,1,7-8H2,2-6H3",BTWSPOZXDCFMLX-UHFFFAOYSA-N,C13H22NO3,240.32,240.1599686,2.4,30.5,316,0,0,3,3,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"DECANEDIOIC ACID, METHYL 1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL ESTER",082919-37-7,157881,"1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate",CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C,"InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3",OTCWVYFQGYOYJO-UHFFFAOYSA-N,C21H39NO4,369.5,369.2879087,4.6,55.8,441,0,0,5,12,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester",119515-38-7,125098,butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate,CCC(C)OC(=O)N1CCCCC1CCO,"InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3",QLHULAHOXSSASE-UHFFFAOYSA-N,C12H23NO3,229.32,229.1677936,2,49.8,220,0,1,3,5,16,,296 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-Piperidinepropanol,104-58-5,66032,3-piperidin-1-ylpropan-1-ol,C1CCN(CC1)CCCO,"InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2",PLRXAFVBCHEMGD-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,0.8,23.5,79,0,1,2,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Piperidinecarboxylic acid,498-95-3,4498,piperidine-3-carboxylic acid,C1CC(CNC1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)",XJLSEXAGTJCILF-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-2.9,49.3,114,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1,2,2,6,6-pentamethyl-, tartrate (1:1)",546-48-5,120729,"(2R,3R)-2,3-dihydroxybutanedioic acid;1,2,2,6,6-pentamethylpiperidine",CC1(CCCC(N1C)(C)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C10H21N.C4H6O6/c1-9(2)7-6-8-10(3,4)11(9)5;5-1(3(7)8)2(6)4(9)10/h6-8H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1",AAFNEINEQRQMTF-LREBCSMRSA-N,C14H27NO6,305.37,305.1838376,,118,265,0,4,7,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coniine, hydrochloride",555-92-0,12303861,(2S)-2-propylpiperidine;hydrochloride,CCC[C@H]1CCCCN1.Cl,"InChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1",JXBWZNQZRWZJIR-QRPNPIFTSA-N,C8H18ClN,163.69,163.1127773,,12,71,0,2,1,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 2,2,6,6-tetramethyl-, hydrobromide",935-21-7,120464,"2,2,6,6-tetramethylpiperidine;hydrobromide",CC1(CCCC(N1)(C)C)C.Br,"InChI=1S/C9H19N.BrH/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;1H",LJDYNBCHVRXQSR-UHFFFAOYSA-N,C9H20BrN,222.17,221.07791,,12,111,0,2,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(2-chloroethyl)-",3/2/32,74827,1-(2-chloroethyl)piperidine,C1CCN(CC1)CCCl,InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2,WNRWEBKEQARBKV-UHFFFAOYSA-N,C7H14ClN,147.64,147.0814771,2.2,3.2,69,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, piperidino-",3/5/10,18164,2-piperidin-1-ylacetonitrile,C1CCN(CC1)CC#N,"InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2",CLVBVRODHJFTGF-UHFFFAOYSA-N,C7H12N2,124.18,124.1000484,0.9,27,116,0,0,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Piperidineacetic acid, hydrochloride",3235-68-5,201096,2-piperidin-1-ylacetic acid;hydrochloride,C1CCN(CC1)CC(=O)O.Cl,"InChI=1S/C7H13NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-6H2,(H,9,10);1H",WKVJGLBBPPFCGD-UHFFFAOYSA-N,C7H14ClNO2,179.64,179.0713064,,40.5,119,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 2-propyl-",3238-60-6,9985,2-propylpiperidine,CCCC1CCCCN1,"InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3",NDNUANOUGZGEPO-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2,12,71,0,1,1,2,9,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Nipecotamide, N,N-diethyl-",3367-95-1,18793,"N,N-diethylpiperidine-3-carboxamide",CCN(CC)C(=O)C1CCCNC1,"InChI=1S/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3",ZXQKYQVJDRTTLZ-UHFFFAOYSA-N,C10H20N2O,184.28,184.1575633,0.1,32.3,166,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidineacetaldehyde, diethyl acetal",3616-58-8,77165,"1-(2,2-diethoxyethyl)piperidine",CCOC(CN1CCCCC1)OCC,"InChI=1S/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3",VSHHRRNJQBETGT-UHFFFAOYSA-N,C11H23NO2,201.31,201.172879,1.7,21.7,129,0,0,3,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-piperidino-",4672-16-6,20794,4-piperidin-1-ylbutanoic acid,C1CCN(CC1)CCCC(=O)O,"InChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)",BGAVZPPPWLEAKZ-UHFFFAOYSA-N,C9H17NO2,171.24,171.1259288,-1.3,40.5,141,0,1,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-Piperidinebutyronitrile,4672-18-8,78403,4-piperidin-1-ylbutanenitrile,C1CCN(CC1)CCCC#N,"InChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-9H2",CVROVTGNNDIZNS-UHFFFAOYSA-N,C9H16N2,152.24,152.1313485,1.2,27,139,0,0,2,3,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Lupetidine, hydrochloride",5072-45-7,6420071,"(2R,6S)-2,6-dimethylpiperidine;hydrochloride",C[C@@H]1CCC[C@@H](N1)C.Cl,"InChI=1S/C7H15N.ClH/c1-6-4-3-5-7(2)8-6;/h6-8H,3-5H2,1-2H3;1H/t6-,7+;",PEDXCVQZZVVOGO-UKMDXRBESA-N,C7H16ClN,149.66,149.0971272,,12,62,0,2,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidinecarboxylic acid, ethyl ester",5325-94-0,21399,ethyl piperidine-1-carboxylate,CCOC(=O)N1CCCCC1,"InChI=1S/C8H15NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H3",YSPVHAUJXLGZHP-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,1.3,29.5,130,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-propyl-",5470-02-0,21644,1-propylpiperidine,CCCN1CCCCC1,"InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3",VTDIWMPYBAVEDY-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2,3.2,65,0,0,1,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(3-chloropropyl)-, hydrochloride",5472-49-1,79624,1-(3-chloropropyl)piperidine;hydrochloride,C1CCN(CC1)CCCCl.Cl,InChI=1S/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H,OBOBUDMMFXRNDO-UHFFFAOYSA-N,C8H17Cl2N,198.13,197.0738049,,3.2,79,0,1,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 3-ethyl-",13603-10-6,202966,3-ethylpiperidine,CCC1CCCNC1,"InChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3",YLUDSYGJHAQGOD-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.4,12,61,0,1,1,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"4-Pipecoline, 1-nitroso-",15104-03-7,27026,4-methyl-1-nitrosopiperidine,CC1CCN(CC1)N=O,"InChI=1S/C6H12N2O/c1-6-2-4-8(7-9)5-3-6/h6H,2-5H2,1H3",AQIASOPYWNTZSK-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,1.1,32.7,97,0,0,3,0,9,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"3-Piperidinol, 2-(diphenylmethyl)-, (+)-, succinate (1:1) (salt)",20068-86-4,23293,piperidin-3-ol,C1CC(CNC1)O,"InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2",BIWOSRSKDCZIFM-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.3,32.3,56,0,2,2,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Piperidine, 4-propyl-",22398-09-0,31169,4-propylpiperidine,CCCC1CCNCC1,"InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3",RQGBFVLTFYRYKB-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2.2,12,65,0,1,1,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-dipropyl S-(2-pipecolinocarbonylmethyl) ester",24151-93-7,32230,2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone,CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C,"InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3",UNLYSVIDNRIVFJ-UHFFFAOYSA-N,C14H28NO3PS2,353.5,353.1248231,4.2,96.2,356,0,0,5,9,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Piperidinecarboxylic acid, (3R)-",25137-00-2,1796510,(3R)-piperidine-3-carboxylic acid,C1C[C@H](CNC1)C(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1",XJLSEXAGTJCILF-RXMQYKEDSA-N,C6H11NO2,129.16,129.0789786,-2.9,49.3,114,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-amino-2,6-dimethyl-",39135-39-2,123482,"2,6-dimethylpiperidin-1-amine",CC1CCCC(N1N)C,"InChI=1S/C7H16N2/c1-6-4-3-5-7(2)9(6)8/h6-7H,3-5,8H2,1-2H3",UAHWWAIVYPJROV-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,1.2,29.3,82,0,1,2,0,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Piperidineacetic acid, alpha-phenyl-, methyl ester, threo-",52760-39-1,3164325,2-piperidin-2-ylacetic acid,C1CCNC(C1)CC(=O)O,"InChI=1S/C7H13NO2/c9-7(10)5-6-3-1-2-4-8-6/h6,8H,1-5H2,(H,9,10)",PRNLNZMJMCUWNV-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,-2.1,49.3,125,0,2,3,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Piperidinecarboxylic acid, 6-(acetylamino)-4,5-dihydroxy-, (3S-(3-alpha,4-alpha,5-alpha,6-beta))-",54795-58-3,3042898,"(3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid",CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)C(=O)O)O)O,"InChI=1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)/t4-,5-,6-,7+/m0/s1",DQTKLICLJUKNCG-ZTYPAOSTSA-N,C8H14N2O5,218.21,218.0902716,-4.4,119,270,0,5,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinol, N-nitroso-",55556-93-9,41471,1-nitrosopiperidin-4-ol,C1CN(CCC1O)N=O,"InChI=1S/C5H10N2O2/c8-5-1-3-7(6-9)4-2-5/h5,8H,1-4H2",DLRQZSOHVPOGGS-UHFFFAOYSA-N,C5H10N2O2,130.15,130.0742276,-0.9,52.9,99,0,1,4,0,9,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-amino-, hydrochloride",63234-70-8,148996,piperidin-1-amine;hydrochloride,C1CCN(CC1)N.Cl,InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H,ZTNLXZOJUZAGRP-UHFFFAOYSA-N,C5H13ClN2,136.62,136.0767261,,29.3,48,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 4-chloro-1-nitroso-",65445-61-6,127854,4-chloro-1-nitrosopiperidine,C1CN(CCC1Cl)N=O,"InChI=1S/C5H9ClN2O/c6-5-1-3-8(7-9)4-2-5/h5H,1-4H2",NSWBTWAHSWWHDN-UHFFFAOYSA-N,C5H9ClN2O,148.59,148.0403406,0.4,32.7,101,0,0,3,0,9,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)-",72432-03-2,441314,"(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol",C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1",IBAQFPQHRJAVAV-ULAWRXDQSA-N,C8H17NO5,207.22,207.1106726,-2.6,104,179,0,5,6,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-",72599-27-0,51634,"(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol",CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1",UQRORFVVSGFNRO-UTINFBMNSA-N,C10H21NO4,219.28,219.1470582,-0.6,84.2,190,0,4,5,4,15,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"1-Piperidinepropanamine, gamma-methyl-N-(3-phenyl-5-isoxazolyl)-",86684-15-3,19049,3-piperidin-1-ylpropan-1-amine,C1CCN(CC1)CCCN,InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2,JMUCXULQKPWSTJ-UHFFFAOYSA-N,C8H18N2,142.24,142.1469986,0.5,29.3,77,0,1,2,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Piperidinemethanol, 1-((2-phenyl-4-quinazolinyl)carbonyl)-",92566-59-1,107308,piperidin-3-ylmethanol,C1CC(CNC1)CO,"InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2",VUNPWIPIOOMCPT-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,-0.1,32.3,65,0,2,2,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Piperidinecarboxamide, 1-(cyclopropylmethyl)-N-(2,6-dimethylphenyl)-, monohydrochloride",166546-89-0,140623,piperidine-2-carboxamide,C1CCNC(C1)C(=O)N,"InChI=1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)",XIMBESZRBTVIOD-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-0.7,55.1,114,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetone, (1-methyl-2-piperidyl)-",,86786,1-(1-methylpiperidin-2-yl)propan-2-one,CC(=O)CC1CCCCN1C,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3",TYHJMEIBGDDCPA-UHFFFAOYSA-N,C9H17NO,155.24,155.1310142,0.8,20.3,144,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Piperidinamine, N-(1,3-benzodioxol-5-yl)-2-((cyclohexyloxy)methyl)-1-methyl-N-(phenylmethyl)-, monohydrochloride, trans-",,148119,piperidin-3-amine,C1CC(CNC1)N,"InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2",PEUGKEHLRUVPAN-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.6,38.1,54,0,2,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidineacetamide, 1-(2-((2R)-2-(3,4-dichlorophenyl)-4-((3,5-bis(trifluoromethyl)phenyl)acetyl)-2-morpholinyl)ethyl)-alpha,alpha-dimethyl-",,22064934,2-piperidin-4-ylacetamide,C1CNCCC1CC(=O)N,"InChI=1S/C7H14N2O/c8-7(10)5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10)",NWVSHHSCDXUYRS-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,-0.6,55.1,119,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidineacetic acid, 4-(4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl)-, monohydrochloride, trihydrate",,201097,2-piperidin-1-ylacetic acid,C1CCN(CC1)CC(=O)O,"InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)",VRDBIJCCXDEZJN-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,-2.5,40.5,119,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinecarbonitrile, 1-(2-(5-butyl-3,5-dihydro-4,6-dimethyl-1,3-dioxopyrrolo(3,4-c)pyrrol-2(1H)-yl)ethyl)-4-phenyl-",,138223,piperidine-4-carbonitrile,C1CNCCC1C#N,"InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2",FSDNTQSJGHSJBG-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,0,35.8,105,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-4-yl)-, (2Z)-2-butenedioate",,1551232,piperidine-1-carbothioamide,C1CCN(CC1)C(=S)N,"InChI=1S/C6H12N2S/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)",UERQMZVFUXRQOD-UHFFFAOYSA-N,C6H12N2S,144.24,144.0721196,0.7,61.4,108,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine-4-carboxylic acid hydrochloride, 1-(3-chloro-5-((5-(piperidin-1-ylmethyl)-4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)carbamoyl)pyridin-2-yl)-",,22298,piperidine-4-carboxylic acid;hydrochloride,C1CNCCC1C(=O)O.Cl,"InChI=1S/C6H11NO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h5,7H,1-4H2,(H,8,9);1H",NVUYWKBRSRPYMH-UHFFFAOYSA-N,C6H12ClNO2,165.62,165.0556563,,49.3,108,0,3,3,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Piperidineethanol, alpha,1-dimethyl-",,11972082,1-(1-methylpiperidin-2-yl)propan-2-ol,CC(CC1CCCCN1C)O,"InChI=1S/C9H19NO/c1-8(11)7-9-5-3-4-6-10(9)2/h8-9,11H,3-7H2,1-2H3",JOHKCJPJMSCFBX-UHFFFAOYSA-N,C9H19NO,157.25,157.1466642,1.3,23.5,116,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(2-hydrazinoethyl)-, dihydrochloride",,3030567,2-piperidin-1-ylethylhydrazine;dihydrochloride,C1CCN(CC1)CCNN.Cl.Cl,"InChI=1S/C7H17N3.2ClH/c8-9-4-7-10-5-2-1-3-6-10;;/h9H,1-8H2;2*1H",INTSVTZAPWDERC-UHFFFAOYSA-N,C7H19Cl2N3,216.15,215.095603,,41.3,78,0,4,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5S)-",,501391,"(2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol",CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1",UQRORFVVSGFNRO-XFWSIPNHSA-N,C10H21NO4,219.28,219.1470582,-0.6,84.2,190,0,4,5,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"ACETAMIDE, N-[2-[(2-CYANO-4,6-DINITROPHENYL)AZO]-5-(DIETHYLAMINO)PHENYL]-",024170-60-3,90383,"N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)C,"InChI=1S/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)",NHBNDXGKNAEBAI-UHFFFAOYSA-N,C19H19N7O5,425.4,425.1447667,3.1,172,736,0,1,9,6,31,,,1,0,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,0
4-DIMETHYLAMINOAZOBENZENE,000060-11-7,6053,"N,N-dimethyl-4-phenyldiazenylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3",JCYPECIVGRXBMO-UHFFFAOYSA-N,C14H15N3,225.29,225.1265975,4.6,28,236,0,0,3,3,17,,"Sublimes (NIOSH, 2024)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(PHENYLAZO)BENZENAMINE MONOHYDROCHLORIDE,003457-98-5,12203296,4-phenyldiazenylaniline;hydrochloride,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N.Cl,"InChI=1S/C12H11N3.ClH/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;/h1-9H,13H2;1H",WMNTYZIRLUBHEE-UHFFFAOYSA-N,C12H12ClN3,233.69,233.0719751,,50.7,201,0,2,3,2,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-METHYL-4-(PHENYLAZO)-",000621-66-9,101340,2-methyl-4-phenyldiazenylphenol,CC1=C(C=CC(=C1)N=NC2=CC=CC=C2)O,"InChI=1S/C13H12N2O/c1-10-9-12(7-8-13(10)16)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3",YJHZQWSSAFUAIG-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3.1,45,236,0,1,3,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, 2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-TRIM",014097-03-1,26457,2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium,CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl,"InChI=1S/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1",TZXATTMVGZDPHM-UHFFFAOYSA-N,C19H25ClN5O2+,390.9,390.1696778,4.7,73.8,497,1,0,5,7,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-[2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL",054229-13-9,103880,2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium chloride,CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-],"InChI=1S/C21H29ClN5O3.ClH/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H/q+1;/p-1",ACBFJDARQXVXLX-UHFFFAOYSA-M,C21H29Cl2N5O3,470.4,469.1647452,,94,563,0,1,7,9,31,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, 4-(PHENYLAZO)-, MONOACETATE",075660-25-2,160079,"acetic acid;4-phenyldiazenylbenzene-1,3-diamine",CC(=O)O.C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N,"InChI=1S/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)",VKWMKHKYDTTYER-UHFFFAOYSA-N,C14H16N4O2,272.3,272.1273258,,114,266,0,3,6,2,20,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,0
DISPERSE BROWN 1,023355-64-8,31878,"2-[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol",C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl,"InChI=1S/C16H15Cl3N4O4/c17-12-7-10(22(3-5-24)4-6-25)1-2-15(12)20-21-16-13(18)8-11(23(26)27)9-14(16)19/h1-2,7-9,24-25H,3-6H2",HXXLWTPFYWMBSC-UHFFFAOYSA-N,C16H15Cl3N4O4,433.7,432.015888,4.2,114,493,0,2,7,7,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
Disperse Red 19 (C.I. 11130),002734-52-3,17651,2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol,C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCO)CCO,"InChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2",GHDZRIQTRDZCMV-UHFFFAOYSA-N,C16H18N4O4,330.34,330.1328051,2.3,114,393,0,2,7,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
N-ETHYL-N-(2-(1-(2-METHYLPROPOXY)ETHOXY)ETHYL)-4-(PHENYLAZO)ANILINE,034432-92-3,118170,N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-phenyldiazenylaniline,CCN(CCOC(C)OCC(C)C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3",BATVZJPOLFSGTD-UHFFFAOYSA-N,C22H31N3O2,369.5,369.2416272,5.8,46.4,402,0,0,5,11,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"Aniline, N,N-dimethyl-p-(m-tolylazo)-",000055-80-1,5934,"N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline",CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,"InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3",LVTFSVIRYMXRSR-UHFFFAOYSA-N,C15H17N3,239.32,239.1422476,4.6,28,267,0,0,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, 4-(PHENYLAZO)-",000495-54-5,10317,"4-phenyldiazenylbenzene-1,3-diamine",C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N,"InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2",IWRVPXDHSLTIOC-UHFFFAOYSA-N,C12H12N4,212.25,212.1061964,2.3,76.8,235,0,2,4,2,16,,2262 °C,1,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-[[4-(DIMETHYLAMINO)PHENYL]AZO]-",000502-02-3,11037,4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid,CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O,"InChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)",IETWCRRCPURZOC-UHFFFAOYSA-N,C14H15N3O3S,305.35,305.0834125,3.3,90.7,443,0,1,6,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-5-[(4-NITROPHENYL)AZO]-, MONOSODIUM SALT",001718-34-9,15587,sodium 2-carboxy-4-[(4-nitrophenyl)diazenyl]phenolate,C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[O-])C(=O)O)[N+](=O)[O-].[Na+],"InChI=1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1",HXKKTXMJSVFQSL-UHFFFAOYSA-M,C13H8N3NaO5,309.21,309.0361647,,131,415,0,1,7,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIAZENE, (4-ISOCYANATOPHENYL)PHENYL-",001942-61-6,74747,(4-isocyanatophenyl)-phenyldiazene,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=O,InChI=1S/C13H9N3O/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,HICXYNWIRHBSKQ-UHFFFAOYSA-N,C13H9N3O,223.23,223.0745619,4.9,54.2,296,0,0,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, N,N-DIETHYL-4-(PHENYLAZO)-",002481-94-9,17204,"N,N-diethyl-4-phenyldiazenylaniline",CCN(CC)C1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3",SJJISKLXUJVZOA-UHFFFAOYSA-N,C16H19N3,253.34,253.1578976,5.3,28,259,0,0,3,5,19,,,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Aniline, N,N-dimethyl-p-((p-chlorophenyl)azo)-",002491-76-1,17226,"4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Cl,"InChI=1S/C14H14ClN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3",WQWHNMIYCHFRJK-UHFFFAOYSA-N,C14H14ClN3,259.73,259.0876252,5.2,28,264,0,0,3,3,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZOIC ACID, 4-[(4-HYDROXYPHENYL)AZO]-",002497-38-3,75620,4-[(4-hydroxyphenyl)diazenyl]benzoic acid,C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)O,"InChI=1S/C13H10N2O3/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18/h1-8,16H,(H,17,18)",HLVCZTOFOWHIJZ-UHFFFAOYSA-N,C13H10N2O3,242.23,242.0691422,3.4,82.3,303,0,2,5,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N,N-dimethyl-4-(p-tolylazo)-",003010-57-9,18168,"N,N-dimethyl-4-[(4-methylphenyl)diazenyl]aniline",CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C,"InChI=1S/C15H17N3/c1-12-4-6-13(7-5-12)16-17-14-8-10-15(11-9-14)18(2)3/h4-11H,1-3H3",IPIZWPBCCYXHDW-UHFFFAOYSA-N,C15H17N3,239.32,239.1422476,4.9,28,259,0,0,3,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-",006657-40-5,81175,"2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol",CCN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl,"InChI=1S/C16H16Cl2N4O3/c1-2-21(7-8-23)12-5-3-11(4-6-12)19-20-16-14(17)9-13(22(24)25)10-15(16)18/h3-6,9-10,23H,2,7-8H2,1H3",IZKMDTFNKCYTOU-UHFFFAOYSA-N,C16H16Cl2N4O3,383.2,382.0599458,4.6,94,443,0,1,6,6,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-[(4-AMINOPHENYL)AZO]-",006925-48-0,81343,4-[(4-aminophenyl)diazenyl]benzoic acid,C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)N,"InChI=1S/C13H11N3O2/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18/h1-8H,14H2,(H,17,18)",KJNBDJZDRNLJJG-UHFFFAOYSA-N,C13H11N3O2,241.24,241.0851266,2.6,88,303,0,2,5,3,18,,,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"PHENOL, 2-[(4-AMINOPHENYL)AZO]-4-METHYL-",025717-11-7,117611,2-[(4-aminophenyl)diazenyl]-4-methylphenol,CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N,"InChI=1S/C13H13N3O/c1-9-2-7-13(17)12(8-9)16-15-11-5-3-10(14)4-6-11/h2-8,17H,14H2,1H3",ZYDVITSLUNFSSH-UHFFFAOYSA-N,C13H13N3O,227.26,227.105862,3,71,261,0,2,4,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, 2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-",037713-38-5,169960,"2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;methyl sulfate",CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl.COS(=O)(=O)[O-],"InChI=1S/C19H24Cl2N5O2.CH4O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5-6(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",OMAWCUOTEHMCOL-UHFFFAOYSA-M,C20H27Cl2N5O6S,536.4,535.1059102,,149,608,0,0,9,7,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-",040880-51-1,162026,3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile,CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl,"InChI=1S/C17H16ClN5O2/c1-2-22(11-3-10-19)14-6-4-13(5-7-14)20-21-17-9-8-15(23(24)25)12-16(17)18/h4-9,12H,2-3,11H2,1H3",NPBDWXMKLFBNIW-UHFFFAOYSA-N,C17H16ClN5O2,357.8,357.0992525,4.3,97.6,507,0,0,6,6,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2-[(2-NITROPHENYL)AZO]-4-(1,1,3,3-TETRAMETHYLBUTYL)-",051656-57-6,103927,"2-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-],"InChI=1S/C20H25N3O3/c1-19(2,3)13-20(4,5)14-10-11-18(24)16(12-14)22-21-15-8-6-7-9-17(15)23(25)26/h6-12,24H,13H2,1-5H3",HOWCUYQDKCPWDV-UHFFFAOYSA-N,C20H25N3O3,355.4,355.1895917,6.6,90.8,507,0,1,5,5,26,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[4-[(2,6-DIBROMO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-",055281-26-0,108692,"3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile",CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br,"InChI=1S/C17H15Br2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3",MWMJPPMTXZJLIK-UHFFFAOYSA-N,C17H15Br2N5O2,481.1,480.9572,5.1,97.6,527,0,0,6,6,26,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PROPANENITRILE, 3-[[2-(2-CYANOETHOXY)ETHYL][4-[(4-NITROPHENYL)AZO]PHENYL]AMINO",070210-10-5,112389,3-[N-[2-(2-cyanoethoxy)ethyl]-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile,C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCC#N)CCOCCC#N,"InChI=1S/C20H20N6O3/c21-11-1-13-25(14-16-29-15-2-12-22)19-7-3-17(4-8-19)23-24-18-5-9-20(10-6-18)26(27)28/h3-10H,1-2,13-16H2",PNWYPUYECVECFF-UHFFFAOYSA-N,C20H20N6O3,392.4,392.1596885,2.9,131,615,0,0,8,10,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, 2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-",071033-12-0,116985,"2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium chloride",CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl.[Cl-],"InChI=1S/C19H24Cl2N5O2.ClH/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;/h6-9,12-13H,5,10-11H2,1-4H3;1H/q+1;/p-1",KAPMUXBQCAXXIQ-UHFFFAOYSA-M,C19H24Cl3N5O2,460.8,459.099558,,73.8,517,0,0,6,7,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, 2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-",072828-75-2,138395963,"2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;hydrogen sulfate",CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl.OS(=O)(=O)[O-],"InChI=1S/C19H24Cl2N5O2.H2O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",FFANLUVXYOADEX-UHFFFAOYSA-M,C19H25Cl2N5O6S,522.4,521.0902601,,160,593,0,1,9,7,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHYL RED, SODIUM SALT",000845-10-3,131860545,,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O.[Na],"InChI=1S/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);",LMTJBYKTWFYXOK-UHFFFAOYSA-N,C15H15N3NaO2,292.29,292.106196,,65.3,349,0,1,5,4,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENYLAZOBENZENESULFONYL CHLORIDE,058359-53-8,94028,4-phenyldiazenylbenzenesulfonyl chloride,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl,"InChI=1S/C12H9ClN2O2S/c13-18(16,17)12-8-6-11(7-9-12)15-14-10-4-2-1-3-5-10/h1-9H",UEAZPVORQYDKHZ-UHFFFAOYSA-N,C12H9ClN2O2S,280.73,280.0073264,4.1,67.2,377,0,0,4,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANONE, 2-BROMO-1-[4-(PHENYLAZO)PHENYL]-",062625-24-5,112886,2-bromo-1-(4-phenyldiazenylphenyl)ethanone,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr,"InChI=1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2",ZXTGCMLCYPYCID-UHFFFAOYSA-N,C14H11BrN2O,303.15,302.00548,4.6,41.8,292,0,0,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-(N,N-DIMETHYLAMINOAZOBENZENE)-4'-ISOTHIOCYANATE",007612-98-8,82084,"4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S,"InChI=1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3",OSWZKAVBSQAVFI-UHFFFAOYSA-N,C15H14N4S,282.4,282.0939176,5.7,72.4,360,0,0,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"ACETAMIDE, N-[2-[(2-BROMO-4,6-DINITROPHENYL)AZO]-5-(DI-2-PROPENYLAMINO)-4-METH",051868-46-3,103997,"N-[5-[bis(prop-2-enyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide",CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC=C,"InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)",WXDXQSMFRITTEJ-UHFFFAOYSA-N,C21H21BrN6O6,533.3,532.07059,4.6,158,777,0,1,9,9,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
MAGNESON,000074-39-5,6320,"4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol",C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)[N+](=O)[O-],"InChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H",NGPGYVQZGRJHFJ-UHFFFAOYSA-N,C12H9N3O4,259.22,259.0593058,2.8,111,336,0,2,6,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHOXAZENE HYDROCHLORIDE,002313-87-3,16836,"4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine;hydrochloride",CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N.Cl,"InChI=1S/C14H16N4O.ClH/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16;/h3-9H,2,15-16H2,1H3;1H",IWHXNINOLLNFGP-UHFFFAOYSA-N,C14H17ClN4O,292.76,292.1090889,,86,289,0,3,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
4-PHENYLAZOPHENOL,001689-82-3,15529,4-phenyldiazenylphenol,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)O,"InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H",BEYOBVMPDRKTNR-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,3.7,45,204,0,1,3,2,15,,220-230 °C @ 20 MM HG SLIGHT DECOMP,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(4'-HYDROXYAZOBENZENE)BENZOIC ACID,001634-82-8,74215,2-[(4-hydroxyphenyl)diazenyl]benzoic acid,C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)O,"InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)",DWQOTEPNRWVUDA-UHFFFAOYSA-N,C13H10N2O3,242.23,242.0691422,2.9,82.3,311,0,2,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(PHENYLAZO)BENZOIC ACID,001562-93-2,15276,4-phenyldiazenylbenzoic acid,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)",CSPTZWQFHBVOLO-UHFFFAOYSA-N,C13H10N2O2,226.23,226.0742276,3.6,62,277,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYL-4,4'-AZODIANILINE",000539-17-3,10872,4-[[4-(dimethylamino)phenyl]diazenyl]aniline,CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N,"InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3",BVRIUXYMUSKBHG-UHFFFAOYSA-N,C14H16N4,240.3,240.1374965,3.9,54,261,0,1,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-AMINO-1,1'-AZOBENZENE-3,4'-DISULFONIC ACID, SODIUM SALT",002706-28-7,75918,disodium;2-amino-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C12H11N3O6S2.2Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",FPVGTPBMTFTMRT-UHFFFAOYSA-L,C12H9N3Na2O6S2,401.3,400.9728159,,182,602,0,1,9,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-((4-NITROPHENYL)AZO)BENZENAMINE,000730-40-5,12896,4-[(4-nitrophenyl)diazenyl]aniline,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2",UNBOSJFEZZJZLR-UHFFFAOYSA-N,C12H10N4O2,242.23,242.0803756,3.2,96.6,300,0,1,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"4-(PHENYLAZO)-1,3-BENZENEDIOL",002051-85-6,16325,"4-phenyldiazenylbenzene-1,3-diol",C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)O)O,"InChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H",BPTKLSBRRJFNHJ-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,3,65.2,239,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-AZOBISBENZOIC ACID",000586-91-4,11471,4-[(4-carboxyphenyl)diazenyl]benzoic acid,C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)C(=O)O,"InChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)",NWHZQELJCLSKNV-UHFFFAOYSA-N,C14H10N2O4,270.24,270.0640568,2.8,99.3,345,0,2,6,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DISPERSE RED 1 ACRYLATE,013695-46-0,5066485,2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate,CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C19H20N4O4/c1-3-19(24)27-14-13-22(4-2)17-9-5-15(6-10-17)20-21-16-7-11-18(12-8-16)23(25)26/h3,5-12H,1,4,13-14H2,2H3",MOUZYIAKMYUILJ-UHFFFAOYSA-N,C19H20N4O4,368.4,368.1484551,4.5,100,518,0,0,7,9,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2-AMINO-5-[(4-SULFOPHENYL)AZO]-",000101-50-8,60996,2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid,C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)",DCYBHNIOTZBCFS-UHFFFAOYSA-N,C12H11N3O6S2,357.4,357.0089274,0.2,176,629,0,3,9,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-methyl-p-(phenylazo)-",000621-90-9,12137,N-methyl-4-phenyldiazenylaniline,CNC1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3",DKOXITJAUZNAPK-UHFFFAOYSA-N,C13H13N3,211.26,211.1109474,4.1,36.8,213,0,1,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 4-[[4-(DIMETHYLAMINO)PHENYL]AZO]-, SODIUM SALT",000845-46-5,23674498,sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate,CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)[O-].[Na+],"InChI=1S/C15H15N3O2.Na/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1",OSCKRHPYZNTEIO-UHFFFAOYSA-M,C15H14N3NaO2,291.28,291.098371,,68.1,347,0,0,5,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N-[2-[(2-BROMO-6-CYANO-4-NITROPHENYL)AZO]-5-(DIETHYLAMINO)PHENYL]",002309-94-6,75325,N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide,CCC(=O)NC1=C(C=CC(=C1)N(CC)CC)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N,"InChI=1S/C20H21BrN6O3/c1-4-19(28)23-18-11-14(26(5-2)6-3)7-8-17(18)24-25-20-13(12-22)9-15(27(29)30)10-16(20)21/h7-11H,4-6H2,1-3H3,(H,23,28)",IGUCIQQRHZUQKG-UHFFFAOYSA-N,C20H21BrN6O3,473.3,472.08585,4.4,127,671,0,1,7,7,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENESULFONIC ACID, 4-[(4-AMINOPHENYL)AZO]-, MONOSODIUM SALT",002491-71-6,23691997,sodium 4-[(4-aminophenyl)diazenyl]benzenesulfonate,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+],"InChI=1S/C12H11N3O3S.Na/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1",FIXVWFINKCQNFG-UHFFFAOYSA-M,C12H10N3NaO3S,299.28,299.0340566,,116,408,0,1,6,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N,N-DIMETHYL-4-[(4-NITROPHENYL)AZO]-",002491-74-9,17225,"N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3",LSFRFLVWCKLQTO-UHFFFAOYSA-N,C14H14N4O2,270.29,270.1116757,4.4,73.8,338,0,0,5,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 3-[(2,4-DIHYDROXYPHENYL)AZO]-4-HYDROXY-, MONOSODIUM SALT",003564-26-9,135666390,"sodium 3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonate",C1=CC(=C(C=C1O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C12H10N2O6S.Na/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h1-6,15-17H,(H,18,19,20);/q;+1/p-1",MOLJFAGWUXDJJC-UHFFFAOYSA-M,C12H9N2NaO6S,332.27,332.0079015,,151,482,0,3,8,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N,N-DIETHYL-4-[(2-METHOXY-4-NITROPHENYL)AZO]-",006373-95-1,80766,"N,N-diethyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]aniline",CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC,"InChI=1S/C17H20N4O3/c1-4-20(5-2)14-8-6-13(7-9-14)18-19-16-11-10-15(21(22)23)12-17(16)24-3/h6-12H,4-5H2,1-3H3",SXHUBOLNSOIMCA-UHFFFAOYSA-N,C17H20N4O3,328.4,328.1535405,4.4,83,415,0,0,6,6,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[[4-(DIETHYLAMINO)PHENYL]AZO]-, POTASSIUM SALT",013545-67-0,23678401,potassium 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[K+],"InChI=1S/C16H19N3O3S.K/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1",YYVJVQBUGBAHJC-UHFFFAOYSA-M,C16H18KN3O3S,371.5,371.0705941,,93.5,475,0,0,6,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 2-[[4-[(2-CYANOETHYL)ETHYLAMINO]PHENYL]AZO]-5-NITRO-",016889-10-4,85627,2-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile,CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N,"InChI=1S/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3",QEORVDCGZONWCJ-UHFFFAOYSA-N,C18H16N6O2,348.4,348.1334738,3.4,121,590,0,0,7,6,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYE",023807-28-5,90270,"N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide",CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCO,"InChI=1S/C20H20ClN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)",WECQKZZOBBSHPK-UHFFFAOYSA-N,C20H20ClN7O7,505.9,505.1112737,2.3,202,827,0,2,11,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[[2-CHLORO-4-[(4-NITROPHENYL)AZO]PHENYL]AMINO]-",043047-20-7,162537,2-[2-chloro-4-[(4-nitrophenyl)diazenyl]anilino]ethanol,C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NCCO)Cl)[N+](=O)[O-],"InChI=1S/C14H13ClN4O3/c15-13-9-11(3-6-14(13)16-7-8-20)18-17-10-1-4-12(5-2-10)19(21)22/h1-6,9,16,20H,7-8H2",YTUZNWQICJBTHL-UHFFFAOYSA-N,C14H13ClN4O3,320.73,320.067618,3.5,103,383,0,2,6,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[[4-(DIETHYLAMINO)PHENYL]AZO]-, SODIUM SALT",062758-12-7,23676309,sodium 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonate,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1",YZORUOZKRBVLEG-UHFFFAOYSA-M,C16H18N3NaO3S,355.4,355.0966569,,93.5,475,0,0,6,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[2-[(2,6-DICYANO-4-NITROPHENYL)AZO]-5-[[2-(2-ETHOXYETHOXY)ETHYL]E",065916-12-3,105230,"N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2-(2-ethoxyethoxy)ethyl-ethylamino]phenyl]acetamide",CCN(CCOCCOCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C,"InChI=1S/C24H27N7O5/c1-4-30(8-9-36-11-10-35-5-2)20-6-7-22(23(14-20)27-17(3)32)28-29-24-18(15-25)12-21(31(33)34)13-19(24)16-26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,27,32)",AKJJWOKXRZZDHV-UHFFFAOYSA-N,C24H27N7O5,493.5,493.207367,2.7,169,819,0,1,10,12,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANAMINIUM, 4-[[3-CHLORO-4-[(2-CYANOETHYL)AMINO]PHENYL]AZO]-N,N,N-TRI",072208-25-4,155709,[2-[4-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium chloride,C[N+](C)(C)CC(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)NCCC#N)Cl.[Cl-],"InChI=1S/C20H22ClN5O.ClH/c1-26(2,3)14-20(27)15-5-7-16(8-6-15)24-25-17-9-10-19(18(21)13-17)23-12-4-11-22;/h5-10,13H,4,12,14H2,1-3H3;1H",ZHXRHMBPWISTQE-UHFFFAOYSA-N,C20H23Cl2N5O,420.3,419.1279658,,77.6,556,0,1,6,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYAZOBENZENE,002936-60-3,16966,(4-methoxyphenyl)-phenyldiazene,COC1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3",LGCRPKOHRIXSEG-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,4.1,34,216,0,0,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
C.I. MORDANT BROWN 33,003618-62-0,135414428,"sodium 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate",C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=CC(=C(C=C2N)N)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C12H11N5O6S.Na/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,18H,13-14H2,(H,21,22,23);/q;+1/p-1",QHMUUKSTOXAOST-UHFFFAOYSA-M,C12H10N5NaO6S,375.29,375.0249485,,208,574,0,3,10,2,25,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"ETHANAMINIUM, 2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-TRIM",025198-22-5,91331,2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium chloride,CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-],"InChI=1S/C19H25ClN5O2.ClH/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;/h6-11,14H,5,12-13H2,1-4H3;1H/q+1;/p-1",ZFRUNHQZTYGGDY-UHFFFAOYSA-M,C19H25Cl2N5O2,426.3,425.1385304,,73.8,497,0,0,6,7,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-PROPANAMINIUM, N-[2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL",082205-20-7,163339,2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium acetate,CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.CC(=O)[O-],"InChI=1S/C21H29ClN5O3.C2H4O2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-2(3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",XSFKEMHKDFPDNK-UHFFFAOYSA-M,C23H32ClN5O5,494,493.2091968,,134,589,0,1,8,9,34,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
DISPERSE YELLOW 3,002832-40-8,17811,N-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]acetamide,CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)NC(=O)C,"InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)",PXOZAFXVEWKXED-UHFFFAOYSA-N,C15H15N3O2,269.3,269.1164267,2.9,74.1,351,0,2,4,3,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDIOL, 5-METHYL-4-[(4-NITROPHENYL)AZO]-",000607-96-5,69095,"5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol",CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O,"InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3",XDOOUKIUNUWEFT-UHFFFAOYSA-N,C13H11N3O4,273.24,273.0749558,3.2,111,363,0,2,6,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 4-[(4-AMINOPHENYL)AZO]-2-METHOXY-5-METHYL-",006232-57-1,80382,4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylaniline,CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N,"InChI=1S/C14H16N4O/c1-9-7-12(16)14(19-2)8-13(9)18-17-11-5-3-10(15)4-6-11/h3-8H,15-16H2,1-2H3",DBENZRUFCCLWPP-UHFFFAOYSA-N,C14H16N4O,256.3,256.1324112,2.7,86,302,0,2,5,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"PROPANENITRILE, 3-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-",013301-61-6,83322,"3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile",CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl,"InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3",KHZRTXVUEZJYNE-UHFFFAOYSA-N,C17H15Cl2N5O2,392.2,391.0602801,5,97.6,527,0,0,6,6,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZONITRILE, 2-[[4-[BIS[2-(ACETYLOXY)ETHYL]AMINO]PHENYL]AZO]-5-NITRO-",030124-94-8,121639,2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate,CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N,"InChI=1S/C21H21N5O6/c1-15(27)31-11-9-25(10-12-32-16(2)28)19-5-3-18(4-6-19)23-24-21-8-7-20(26(29)30)13-17(21)14-22/h3-8,13H,9-12H2,1-2H3",GRMDKKJYMUDEJO-UHFFFAOYSA-N,C21H21N5O6,439.4,439.1491834,3.1,150,702,0,0,10,11,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[2-[(2-BROMO-4,6-DINITROPHENYL)AZO]-5-(DIETHYLAMINO)PHENYL]-",052697-38-8,104287,"N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C,"InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)",WFFKSTRPZWRBEW-UHFFFAOYSA-N,C18H19BrN6O5,479.3,478.06003,4.1,149,650,0,1,8,6,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[2-[(2-BROMO-4,6-DINITROPHENYL)AZO]-5-(DIETHYLAMINO)-4-METHOXYPHE",056548-64-2,92446,"N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide",CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC,"InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)",QRKGKRSGMAWUMO-UHFFFAOYSA-N,C19H21BrN6O6,509.3,508.07059,4.1,158,697,0,1,9,7,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, N-(2-CHLOROETHYL)-4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]-N-ETHYL-3-M",063741-10-6,114213,"N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylaniline",CCN(CCCl)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C,"InChI=1S/C17H17Cl3N4O2/c1-3-23(7-6-18)12-4-5-16(11(2)8-12)21-22-17-14(19)9-13(24(25)26)10-15(17)20/h4-5,8-10H,3,6-7H2,1-2H3",UGDJBKWHSWJSMB-UHFFFAOYSA-N,C17H17Cl3N4O2,415.7,414.041709,6.2,73.8,479,0,0,5,6,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[4-CHLORO-2-[(2-CHLORO-4-NITROPHENYL)AZO]-5-[(2-HYDROXYPROPYL)AMI",071617-28-2,51368,N-[4-chloro-2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(2-hydroxypropylamino)phenyl]acetamide,CC(CNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)O,"InChI=1S/C17H17Cl2N5O4/c1-9(25)8-20-15-7-16(21-10(2)26)17(6-13(15)19)23-22-14-4-3-11(24(27)28)5-12(14)18/h3-7,9,20,25H,8H2,1-2H3,(H,21,26)",ZUPIQBGINDIKCE-UHFFFAOYSA-N,C17H17Cl2N5O4,426.3,425.0657594,3.7,132,576,0,3,7,6,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-(ACETYLAMINO)-2-AMINO-5-[[4-[[2-(SULFOOXY)ETHYL]SULFON",085765-41-9,12081102,disodium;4-acetamido-2-amino-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate,CC(=O)NC1=C(C=C(C(=C1)N)S(=O)(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C16H18N4O10S3.2Na/c1-10(21)18-14-8-13(17)16(32(24,25)26)9-15(14)20-19-11-2-4-12(5-3-11)31(22,23)7-6-30-33(27,28)29;;/h2-5,8-9H,6-7,17H2,1H3,(H,18,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",VPIIHWNBJJJYOB-UHFFFAOYSA-L,C16H16N4Na2O10S3,566.5,565.9823948,,263,993,0,2,13,7,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANAMINIUM, 2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]-N,N,N-TRIM",014254-17-2,161041,2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;methyl sulfate,CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.COS(=O)(=O)[O-],"InChI=1S/C19H25ClN5O2.CH4O4S/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",NUSZYOCSDMLOQE-UHFFFAOYSA-M,C20H28ClN5O6S,502,501.1448825,,149,588,0,0,9,7,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
FAST BLACK K SALT PRACTICAL GRADE,064071-86-9,5748680,"dichlorozinc;[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]iminoazanium;chloride",COC1=CC(=C(C=C1N=[NH2+])OC)N=NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-].Cl[Zn]Cl,"InChI=1S/C14H13N5O4.3ClH.Zn/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21;;;;/h3-8,15H,1-2H3;3*1H;/q;;;;+2/p-2",KTSPHVBBBOGQDW-UHFFFAOYSA-L,C14H14Cl3N5O4Zn,488,484.940279,,127,436,0,1,8,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-DIAMINOAZOBENZENE",000538-41-0,10855,4-[(4-aminophenyl)diazenyl]aniline,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,"InChI=1S/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2",KQIKKETXZQDHGE-UHFFFAOYSA-N,C12H12N4,212.25,212.1061964,2.7,76.8,201,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-[(4-NITROPHENYL)AZO]-",001435-60-5,15035,4-[(4-nitrophenyl)diazenyl]phenol,C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)[N+](=O)[O-],"InChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H",NRJPVIOTANUINF-UHFFFAOYSA-N,C12H9N3O3,243.22,243.0643912,3.7,90.8,300,0,1,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ANILINE YELLOW,000060-09-3,6051,4-phenyldiazenylaniline,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N,"InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2",QPQKUYVSJWQSDY-UHFFFAOYSA-N,C12H11N3,197.24,197.0952974,3.4,50.7,201,0,1,3,2,15,,"greater than 680 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FAST GARNET GBC,000101-89-3,66872,hydrogen sulfate;2-methyl-4-[(2-methylphenyl)diazenyl]benzenediazonium,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)[N+]#N)C.OS(=O)(=O)[O-],"InChI=1S/C14H13N4.H2O4S/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4)/q+1;/p-1",PPTXFSQSISUDAU-UHFFFAOYSA-M,C14H14N4O4S,334.35,334.0735761,,139,419,0,1,7,2,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL RED HYDROCHLORIDE,063451-28-5,113227,2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid;hydrochloride,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O.Cl,"InChI=1S/C15H15N3O2.ClH/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);1H",ICTWKXAVJAHRMK-UHFFFAOYSA-N,C15H16ClN3O2,305.76,305.0931045,,65.3,349,0,2,5,4,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-METHYL-4-[(2-METHYLPHENYL)AZO]-, MONOHYDROCHLORIDE",002298-13-7,16808,2-methyl-4-[(2-methylphenyl)diazenyl]aniline;hydrochloride,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C.Cl,"InChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H",PUDCZUQFOPHIGU-UHFFFAOYSA-N,C14H16ClN3,261.75,261.1032752,,50.7,264,0,2,3,2,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, 4-[(2-METHYLPHENYL)AZO]-, MONOHYDROCHLORIDE",006364-35-8,80720,"4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine;hydrochloride",CC1=CC=CC=C1N=NC2=C(C=C(C=C2)N)N.Cl,"InChI=1S/C13H14N4.ClH/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15;/h2-8H,14-15H2,1H3;1H",KFWVRNPOOBANAY-UHFFFAOYSA-N,C13H15ClN4,262.74,262.0985242,,76.8,266,0,3,4,2,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, 4-METHYL-6-[(2-METHYLPHENYL)AZO]-, MONOHYDROCHLORIDE",006416-59-7,145865,"4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine;hydrochloride",CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N)N.Cl,"InChI=1S/C14H16N4.ClH/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16;/h3-8H,15-16H2,1-2H3;1H",CNBDSLCBPQDKJG-UHFFFAOYSA-N,C14H17ClN4,276.76,276.1141743,,76.8,292,0,3,4,2,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[5-[BIS[2-(ACETYLOXY)ETHYL]AMINO]-2-[(2-BROMO-4,6-DINITROPHENYL)A",003618-72-2,77172,"2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate",CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C,"InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)",JSRUDOBCTLPTFO-UHFFFAOYSA-N,C23H25BrN6O10,625.4,624.08155,3.1,211,924,0,1,13,13,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[2-(ACETYLOXY)ETHYL][4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHE",005261-31-4,78916,"2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate",CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl,"InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3",ROPYWXVRNREIQD-UHFFFAOYSA-N,C19H17Cl2N5O4,450.3,449.0657594,4.5,124,645,0,0,8,9,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANAMINIUM, 4-[[4-[ETHYL[2-HYDROXY-3-(TRIMETHYLAMMONIO)PROPYL]AMINO]-",036936-37-5,162232,[2-[4-[[4-[ethyl-[2-hydroxy-3-(trimethylazaniumyl)propyl]amino]-2-methylphenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCN(CC(C[N+](C)(C)C)O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C)C,"InChI=1S/C26H41N5O2.2BF4/c1-9-29(17-24(32)18-30(3,4)5)23-14-15-25(20(2)16-23)28-27-22-12-10-21(11-13-22)26(33)19-31(6,7)8;2*2-1(3,4)5/h10-16,24,32H,9,17-19H2,1-8H3;;/q+2;2*-1",YHUMHXRJQYDDAR-UHFFFAOYSA-N,C26H41B2F8N5O2,629.2,629.3318612,,65.3,651,0,1,15,11,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[[2-(ACETYLOXY)ETHYL][4-[(4-NITROPHENYL)AZO]PHENYL]AMINO]-",068391-42-4,110106,2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate,CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C19H19N5O4/c1-15(25)28-14-13-23(12-2-11-20)18-7-3-16(4-8-18)21-22-17-5-9-19(10-6-17)24(26)27/h3-10H,2,12-14H2,1H3",QLRDACXDRLGLOC-UHFFFAOYSA-N,C19H19N5O4,381.4,381.1437041,3.2,124,581,0,0,8,9,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPYL RED,002641-01-2,75839,2-[[4-(dipropylamino)phenyl]diazenyl]benzoic acid,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O,"InChI=1S/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)",LIIDWKDFORMMDQ-UHFFFAOYSA-N,C19H23N3O2,325.4,325.179027,5.1,65.3,399,0,1,5,8,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-[(4-ETHOXYPHENYL)AZO]-N,N-DIETHYL-",003010-63-7,76378,"4-[(4-ethoxyphenyl)diazenyl]-N,N-diethylaniline",CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC,"InChI=1S/C18H23N3O/c1-4-21(5-2)17-11-7-15(8-12-17)19-20-16-9-13-18(14-10-16)22-6-3/h7-14H,4-6H2,1-3H3",AYKNBEUSHQHYSX-UHFFFAOYSA-N,C18H23N3O,297.4,297.1841124,4.9,37.2,314,0,0,4,7,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[5-[[2-(ACETYLOXY)ETHYL](2-CYANOETHYL)AMINO]-2-[(2-CHLORO-4-NITRO",028462-17-1,119963,2-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetate,CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl,"InChI=1S/C21H21ClN6O5/c1-14(29)24-21-13-16(27(9-3-8-23)10-11-33-15(2)30)4-7-20(21)26-25-19-6-5-17(28(31)32)12-18(19)22/h4-7,12-13H,3,9-11H2,1-2H3,(H,24,29)",UYRHHMBFMQRBGX-UHFFFAOYSA-N,C21H21ClN6O5,472.9,472.1261955,3,153,766,0,1,9,10,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
".BETA.-ALANINE, N-[4-[(4-BROMO-2,6-DICYANOPHENYL)AZO]-3-HYDROXYPHENYL]-N-(3-ME",122630-55-1,136086341,"methyl 3-[4-[(4-bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate",COC(=O)CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)Br)C#N)O,"InChI=1S/C22H20BrN5O5/c1-32-20(30)5-7-28(8-6-21(31)33-2)17-3-4-18(19(29)11-17)26-27-22-14(12-24)9-16(23)10-15(22)13-25/h3-4,9-11,29H,5-8H2,1-2H3",VHVCLLGXFQGZJR-UHFFFAOYSA-N,C22H20BrN5O5,514.3,513.06478,3.2,148,759,0,1,10,11,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Toluidine, N,N-dimethyl-4-(phenylazo)-",54-88-6,5916,"N,N,3-trimethyl-4-phenyldiazenylaniline",CC1=C(C=CC(=C1)N(C)C)N=NC2=CC=CC=C2,"InChI=1S/C15H17N3/c1-12-11-14(18(2)3)9-10-15(12)17-16-13-7-5-4-6-8-13/h4-11H,1-3H3",QXTOLYZIJUDOIT-UHFFFAOYSA-N,C15H17N3,239.32,239.1422476,4.2,28,269,0,0,3,3,18,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-methyl-4-(phenylazo)-",1435-88-7,74030,3-methyl-4-phenyldiazenylphenol,CC1=C(C=CC(=C1)O)N=NC2=CC=CC=C2,"InChI=1S/C13H12N2O/c1-10-9-12(16)7-8-13(10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3",AXGXXLOKNNMCHP-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3.7,45,236,0,1,3,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Azobenzene, 4,4'-dichloro-",1602-00-2,15340,bis(4-chlorophenyl)diazene,C1=CC(=CC=C1N=NC2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,XHQLXCFUPJSGOE-UHFFFAOYSA-N,C12H8Cl2N2,251.11,250.0064537,5.3,24.7,205,0,0,2,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N-methyl-p-(m-tolylazo)-",2058-62-0,16353,N-methyl-4-[(3-methylphenyl)diazenyl]aniline,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)NC,"InChI=1S/C14H15N3/c1-11-4-3-5-14(10-11)17-16-13-8-6-12(15-2)7-9-13/h3-10,15H,1-2H3",OXSUISUHALSWMH-UHFFFAOYSA-N,C14H15N3,225.29,225.1265975,4,36.8,244,0,1,3,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Azobenzene, 4-nitro-",2491-52-3,17222,(4-nitrophenyl)-phenyldiazene,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,TZTDJBMGPQLSLI-UHFFFAOYSA-N,C12H9N3O2,227.22,227.0694765,3.9,70.5,274,0,0,4,2,17,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N,N-dimethyl-p-(3,4-xylylazo)-",3025-73-8,18187,"4-[(3,4-dimethylphenyl)diazenyl]-N,N-dimethylaniline",CC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)C,"InChI=1S/C16H19N3/c1-12-5-6-15(11-13(12)2)18-17-14-7-9-16(10-8-14)19(3)4/h5-11H,1-4H3",ILUWGGAOQJAFCM-UHFFFAOYSA-N,C16H19N3,253.34,253.1578976,4.6,28,292,0,0,3,3,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-((p-bromophenyl)azo)-",3035-94-7,200980,4-[(4-bromophenyl)diazenyl]phenol,C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O,"InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H",YEBZABRSUREBDG-UHFFFAOYSA-N,C12H9BrN2O,277.12,275.98983,4,45,231,0,1,3,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2'-((3-methyl-4-((4-nitrophenyl)azo)phenyl)imino)bis-",3179-89-3,4585870,2-[N-(2-hydroxyethyl)-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol,CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C17H20N4O4/c1-13-12-16(20(8-10-22)9-11-23)6-7-17(13)19-18-14-2-4-15(5-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3",ADCWDMYESTYBBN-UHFFFAOYSA-N,C17H20N4O4,344.4,344.1484551,2.6,114,429,0,2,7,7,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"m-Toluidine, 4-(m-tolylazo)-",9/2/98,76936,3-methyl-4-[(3-methylphenyl)diazenyl]aniline,CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N)C,"InChI=1S/C14H15N3/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2/h3-9H,15H2,1-2H3",IVUQHXKKRQEFBU-UHFFFAOYSA-N,C14H15N3,225.29,225.1265975,3.7,50.7,264,0,1,3,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N,N-dimethyl-4-(o-tolylazo)-",3731-39-3,19508,"N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline",CC1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C,"InChI=1S/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3",PREOKNMPMCPQQJ-UHFFFAOYSA-N,C15H17N3,239.32,239.1422476,4.2,28,267,0,0,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N,N-dimethyl-p-((m-chlorophenyl)azo)-",3789-77-3,19625,"4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)Cl,"InChI=1S/C14H14ClN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3",ZWJXJMMRLCEJAL-UHFFFAOYSA-N,C14H14ClN3,259.73,259.0876252,5.2,28,272,0,0,3,3,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Aniline, p-(p-bromophenylazo)-N,N-dimethyl-",3805-65-0,19644,"4-[(4-bromophenyl)diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Br,"InChI=1S/C14H14BrN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3",GMAYRELXLJMMQU-UHFFFAOYSA-N,C14H14BrN3,304.18,303.03711,5.3,28,264,0,0,3,3,18,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N,N-dimethyl-p-((3-ethoxyphenyl)azo)-",3837-54-5,19689,"4-[(3-ethoxyphenyl)diazenyl]-N,N-dimethylaniline",CCOC1=CC=CC(=C1)N=NC2=CC=C(C=C2)N(C)C,"InChI=1S/C16H19N3O/c1-4-20-16-7-5-6-14(12-16)18-17-13-8-10-15(11-9-13)19(2)3/h5-12H,4H2,1-3H3",XZGKXOXICOEUQZ-UHFFFAOYSA-N,C16H19N3O,269.34,269.1528122,4.9,37.2,298,0,0,4,5,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 4'-phenylazo-",4128-71-6,20085,N-(4-phenyldiazenylphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2,"InChI=1S/C14H13N3O/c1-11(18)15-12-7-9-14(10-8-12)17-16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,18)",WSHHPNYAXLDUTG-UHFFFAOYSA-N,C14H13N3O,239.27,239.105862,3.4,53.8,289,0,1,3,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N,N-diethyl-p-((p-ethylphenyl)azo)-",4928-41-0,21043,"N,N-diethyl-4-[(4-ethylphenyl)diazenyl]aniline",CCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(CC)CC,"InChI=1S/C18H23N3/c1-4-15-7-9-16(10-8-15)19-20-17-11-13-18(14-12-17)21(5-2)6-3/h7-14H,4-6H2,1-3H3",PQPOCSPPXRINCI-UHFFFAOYSA-N,C18H23N3,281.4,281.1891977,5.4,28,296,0,0,3,6,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(4-((4-chlorophenyl)azo)phenyl) O,O-dimethyl ester",5834-96-8,79914,(4-chlorophenyl)-(4-dimethoxyphosphinothioyloxyphenyl)diazene,COP(=S)(OC)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)Cl,"InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3",DCEAEHHJGXAROU-UHFFFAOYSA-N,C14H14ClN2O3PS,356.8,356.0151282,5.4,84.5,403,0,0,6,6,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Toluidine, 4'-ethyl-N,N-dimethyl-4-(phenylazo)-",3/1/30,80130,"4-[(4-ethylphenyl)diazenyl]-N,N,3-trimethylaniline",CCC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N(C)C)C,"InChI=1S/C17H21N3/c1-5-14-6-8-15(9-7-14)18-19-17-11-10-16(20(3)4)12-13(17)2/h6-12H,5H2,1-4H3",LEEMOVONVYCRIF-UHFFFAOYSA-N,C17H21N3,267.37,267.1735477,5,28,305,0,0,3,4,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, p,p'-azobis(N,N-dimethyl-",6257-64-3,22626,"4-[[4-(dimethylamino)phenyl]diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C,"InChI=1S/C16H20N4/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3",NMTGSDIMWJJCNO-UHFFFAOYSA-N,C16H20N4,268.36,268.1687967,4.7,31.2,268,0,0,4,4,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzenediamine, 4-methyl-6-((2-methylphenyl)azo)-",7467-29-0,81975,"4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine",CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N)N,"InChI=1S/C14H16N4/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16/h3-8H,15-16H2,1-2H3",LFAUQAQLVVJIAC-UHFFFAOYSA-N,C14H16N4,240.3,240.1374965,3.1,76.8,292,0,2,4,2,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, (p-phenylazo)phenyl ester",7612-96-6,24248,(4-isothiocyanatophenyl)-phenyldiazene,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S,InChI=1S/C13H9N3S/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,ZTXNMMXJFVCQPD-UHFFFAOYSA-N,C13H9N3S,239.3,239.0517185,5.5,69.2,296,0,0,4,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N,N-dimethyl-p-(3-methoxyphenylazo)-",20691-83-2,30229,"4-[(3-methoxyphenyl)diazenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=NC2=CC(=CC=C2)OC,"InChI=1S/C15H17N3O/c1-18(2)14-9-7-12(8-10-14)16-17-13-5-4-6-15(11-13)19-3/h4-11H,1-3H3",BGKFVSREYGJGDU-UHFFFAOYSA-N,C15H17N3O,255.31,255.1371622,4.6,37.2,285,0,0,4,4,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ethanol, 2,2'-((4-((4-aminophenyl)azo)phenyl)imino)bis-",20721-50-0,88669,2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N(CCO)CCO,"InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2",NZKTVPCPQIEVQT-UHFFFAOYSA-N,C16H20N4O2,300.36,300.1586259,1.8,94.4,318,0,3,6,7,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Azobenzene, 4'-methoxy-4-nitro-",29418-59-5,34576,(4-methoxyphenyl)-(4-nitrophenyl)diazene,COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C13H11N3O3/c1-19-13-8-4-11(5-9-13)15-14-10-2-6-12(7-3-10)16(17)18/h2-9H,1H3",CHGPHWNJICZVNY-UHFFFAOYSA-N,C13H11N3O3,257.24,257.0800412,3.8,79.8,314,0,0,5,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Disperse Red 118,52623-75-3,6454204,"2-[3-chloro-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol",C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br,"InChI=1S/C16H15Br2ClN4O4/c17-12-7-11(23(26)27)8-13(18)16(12)21-20-15-2-1-10(9-14(15)19)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2",NMNGPGUKCHNKOE-UHFFFAOYSA-N,C16H15Br2ClN4O4,522.6,521.91281,4.3,114,495,0,2,7,7,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenearsonic acid, 4-(p-dimethylaminophenylazo)-, hydrochloride",73688-85-4,3056312,[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]arsonic acid;hydrochloride,CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[As](=O)(O)O.Cl,"InChI=1S/C14H16AsN3O3.ClH/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21;/h3-10H,1-2H3,(H2,19,20,21);1H",PVYGBUNBLMIFRV-UHFFFAOYSA-N,C14H17AsClN3O3,385.68,385.017439,,85.5,394,0,3,6,4,22,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenediamine, 2-methyl-4-((2-methylphenyl)azo)-",84434-45-7,150085,"2-methyl-4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine",CC1=CC=CC=C1N=NC2=C(C(=C(C=C2)N)C)N,"InChI=1S/C14H16N4/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3",MXALHDCUOQFPNY-UHFFFAOYSA-N,C14H16N4,240.3,240.1374965,3.1,76.8,292,0,2,4,2,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETONITRILE, .ALPHA.-HYDROXY-3-PHENOXY-",039515-47-4,93218,2-hydroxy-2-(3-phenoxyphenyl)acetonitrile,C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)O,"InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H",GXUQMKBQDGPMKZ-UHFFFAOYSA-N,C14H11NO2,225.24,225.0789786,2.6,53.3,277,0,1,3,3,17,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"P,P'-OXYBIS(BENZENESULFONYL HYDRAZIDE",000080-51-3,6649,4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide,C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NN)S(=O)(=O)NN,"InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2",NBOCQTNZUPTTEI-UHFFFAOYSA-N,C12H14N4O5S2,358.4,358.0405619,-0.1,170,516,0,4,9,6,23,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"BENZENE, (CHLOROMETHYL)PHENOXY-",031426-72-9,169302,1-(chloromethyl)-2-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=CC=C2CCl,"InChI=1S/C13H11ClO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2",VIGILLBRWRDXDA-UHFFFAOYSA-N,C13H11ClO,218.68,218.0498427,3.8,9.2,177,0,0,1,3,15,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"1,1'-OXYBIS(4-ISOCYANATOBENZENE)",004128-73-8,61332,1-isocyanato-4-(4-isocyanatophenoxy)benzene,C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O,InChI=1S/C14H8N2O3/c17-9-15-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)16-10-18/h1-8H,KDLIYVDINLSKGR-UHFFFAOYSA-N,C14H8N2O3,252.22,252.0534921,5.1,68.1,334,0,0,5,4,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
NIMESULIDE,051803-78-2,4495,N-(4-nitro-2-phenoxyphenyl)methanesulfonamide,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2,"InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3",HYWYRSMBCFDLJT-UHFFFAOYSA-N,C13H12N2O5S,308.31,308.0466927,2.6,110,450,0,1,6,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-OXYBISBENZONITRILE",006508-04-9,81004,4-(4-cyanophenoxy)benzonitrile,C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N,InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H,RSAUOQFEFINEDM-UHFFFAOYSA-N,C14H8N2O,220.23,220.0636629,2.2,56.8,298,0,0,3,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(BROMOMETHYL)-3-PHENOXY",051632-16-7,94544,1-(bromomethyl)-3-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=CC(=C2)CBr,"InChI=1S/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2",UJUNUASMYSTBSK-UHFFFAOYSA-N,C13H11BrO,263.13,261.99933,3.9,9.2,177,0,0,1,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4'-DIAMINODIPHENYLETHER",002657-87-6,75871,3-(4-aminophenoxy)aniline,C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N,"InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2",ZBMISJGHVWNWTE-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,2.2,61.3,190,0,2,3,2,15,,,0,1,1,1,0,1,1,1,0,0,1,0,0,1,0,0,1,1,0,1
4-AMINOPHENYL ETHER,000101-80-4,7579,4-(4-aminophenoxy)aniline,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,"InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2",HLBLWEWZXPIGSM-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,1.4,61.3,162,0,2,3,2,15,"426 °F (NTP, 1992)","Sublimes (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0
4-CHLOROPHENYL PHENYL ETHER,007005-72-3,23436,1-chloro-4-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,PGPNJCAMHOJTEF-UHFFFAOYSA-N,C12H9ClO,204.65,204.0341926,4.3,9.2,158,0,0,1,2,14,,"543 to 545 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-BROMOPHENYL PHENYL ETHER,000101-55-3,7565,1-bromo-4-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=C(C=C2)Br,InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,JDUYPUMQALQRCN-UHFFFAOYSA-N,C12H9BrO,249.1,247.98368,4.4,9.2,158,0,0,1,2,14,"greater than 234 °F (NTP, 1992)","581 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"4,4'-OXYDIPHENOL",001965-09-9,16069,4-(4-hydroxyphenoxy)phenol,C1=CC(=CC=C1O)OC2=CC=C(C=C2)O,"InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H",NZGQHKSLKRFZFL-UHFFFAOYSA-N,C12H10O3,202.21,202.0629942,2,49.7,159,0,2,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-PHENOXYPHENYL ISOCYANATE,059377-19-4,2734896,1-isocyanato-4-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O,InChI=1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H,PNBUGOFIKAHZRW-UHFFFAOYSA-N,C13H9NO2,211.22,211.0633285,4.5,38.7,247,0,0,3,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZENAMINE, 4-(4-CHLOROPHENOXY)-",000101-79-1,7578,4-(4-chlorophenoxy)aniline,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,"InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2",YTISFYMPVILQRL-UHFFFAOYSA-N,C12H10ClNO,219.66,219.0450916,2.7,35.3,184,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENE, 4-CHLORO-1-(4-CHLOROPHENOXY)-2-NITRO-",000135-12-6,8659,4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene,C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl,InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H,XEGBVDXTOVJCSJ-UHFFFAOYSA-N,C12H7Cl2NO3,284.09,282.9802985,4.4,55.1,290,0,0,3,2,18,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, OXYBIS[DODECYL-, DISODIUM SALT",025167-32-2,56841880,sodium 2-dodecyl-3-(2-dodecyl-3-sulfophenoxy)benzenesulfonate,CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=C(C(=CC=C2)S(=O)(=O)[O-])CCCCCCCCCCCC.[Na+],"InChI=1S/C36H58O7S2.Na/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(27-23-29-35(31)44(37,38)39)43-34-28-24-30-36(45(40,41)42)32(34)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30H,3-22,25-26H2,1-2H3,(H,37,38,39)(H,40,41,42);/q;+1/p-1",KCNGRVZRDYPLIV-UHFFFAOYSA-M,C36H57NaO7S2,689,688.3443408,,138,948,0,1,7,26,46,,"212 °F at 760 mmHg (approximate, varies with concentration) (USCG, 1999)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"DODECYL(SULFOPHENOXY)BENZENESULFONIC ACID, DISODIUM SALT",028519-02-0,21125034,2-dodecyl-3-(2-sulfophenoxy)benzenesulfonic acid,CCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O,"InChI=1S/C24H34O7S2/c1-2-3-4-5-6-7-8-9-10-11-15-20-21(17-14-19-23(20)32(25,26)27)31-22-16-12-13-18-24(22)33(28,29)30/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30)",LYLUJWGZVASHOS-UHFFFAOYSA-N,C24H34O7S2,498.7,498.1745958,7.2,135,740,0,2,7,15,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 3-PHENOXY-",039515-51-0,38284,3-phenoxybenzaldehyde,C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O,InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H,MRLGCTNJRREZHZ-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.4,26.3,197,0,0,2,3,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITRO-",050594-66-6,44073,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)",NUFNQYOELLVIPL-UHFFFAOYSA-N,C14H7ClF3NO5,361.65,360.9964845,3,92.4,484,0,1,8,3,24,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, OXYBIS[DECYL-, DISODIUM SALT",070146-13-3,23366630,disodium;2-decyl-3-(2-decyl-3-sulfonatophenoxy)benzenesulfonate,CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])CCCCCCCCCC.[Na+].[Na+],"InChI=1S/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-21-27-29(23-19-25-31(27)40(33,34)35)39-30-24-20-26-32(41(36,37)38)28(30)22-18-16-14-12-10-8-6-4-2;;/h19-20,23-26H,3-18,21-22H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",YEQDPGNXYXJTLM-UHFFFAOYSA-L,C32H48Na2O7S2,654.8,654.2636848,,140,780,0,0,7,20,43,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-PHENOXYPHENOL,000831-82-3,13254,4-phenoxyphenol,C1=CC=C(C=C1)OC2=CC=C(C=C2)O,"InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H",ZSBDGXGICLIJGD-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,3.4,29.5,156,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-PHENOXYANILINE,000139-59-3,8764,4-phenoxyaniline,C1=CC=C(C=C1)OC2=CC=C(C=C2)N,"InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2",WOYZXEVUWXQVNV-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.9,35.3,158,0,1,2,2,14,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,1
M-PHENOXYANILINE,003586-12-7,77135,3-phenoxyaniline,C1=CC=C(C=C1)OC2=CC=CC(=C2)N,"InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2",UCSYVYFGMFODMY-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,3.2,35.3,166,0,1,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(P-BROMOPHENYL) ETHER,002050-47-7,16305,1-bromo-4-(4-bromophenoxy)benzene,C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br,InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,YAWIAFUBXXPJMQ-UHFFFAOYSA-N,C12H8Br2O,328,327.89214,4.1,9.2,162,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3',5-TRIIODO-L-THYRONINE SODIUM",000055-06-1,23666110,"sodium (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate",C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+],"InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1",SBXXSUDPJJJJLC-YDALLXLXSA-M,C15H11I3NNaO4,672.95,672.772,,95.6,408,0,2,5,5,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
3-PHENOXYBENZYL ALCOHOL,013826-35-2,26295,(3-phenoxyphenyl)methanol,C1=CC=C(C=C1)OC2=CC=CC(=C2)CO,"InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2",KGANAERDZBAECK-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,2.5,29.5,175,0,1,2,3,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(4-FORMYLPHENOXY)BENZALDEHYDE,002215-76-1,11368119,4-(4-formylphenoxy)benzaldehyde,C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C=O,InChI=1S/C14H10O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H,GXZZHLULZRMUQC-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,1.6,43.4,222,0,0,3,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
4-(4-AMINOPHENOXY)BENZONITRILE,017076-69-6,167619,4-(4-aminophenoxy)benzonitrile,C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)N,"InChI=1S/C13H10N2O/c14-9-10-1-5-12(6-2-10)16-13-7-3-11(15)4-8-13/h1-8H,15H2",YDNICCZCAISDAG-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,1.8,59,254,0,1,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-PHENOXY-",000713-68-8,12842,3-phenoxyphenol,C1=CC=C(C=C1)OC2=CC=CC(=C2)O,"InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H",HBUCPZGYBSEEHF-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,3.6,29.5,164,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2-PHENOXY-",002688-84-8,75899,2-phenoxyaniline,C1=CC=C(C=C1)OC2=CC=CC=C2N,"InChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2",NMFFUUFPJJOWHK-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.5,35.3,166,0,1,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, pentahydr",006106-07-6,23665037,"sodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;pentahydrate",C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)[O-])N.O.O.O.O.O.[Na+],"InChI=1S/C15H11I4NO4.Na.5H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;;;;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;5*1H2/q;+1;;;;;/p-1/t12-;;;;;;/m0....../s1",JMHCCAYJTTWMCX-QWPJCUCISA-M,C15H20I4NNaO9,888.93,888.7215,,101,426,0,7,10,5,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 5-CHLORO-2-(4-CHLOROPHENOXY)-, HYDROCHLORIDE",006259-39-8,80414,5-chloro-2-(4-chlorophenoxy)aniline;hydrochloride,C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl.Cl,"InChI=1S/C12H9Cl2NO.ClH/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;/h1-7H,15H2;1H",BYVKKIVAXSTEHI-UHFFFAOYSA-N,C12H10Cl3NO,290.6,288.982797,,35.3,219,0,2,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(2,4-DICHLOROPHENOXY)-",040843-73-0,94509,"4-(2,4-dichlorophenoxy)phenol",C1=CC(=CC=C1O)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H",DPRSKCAGYLXDCY-UHFFFAOYSA-N,C12H8Cl2O2,255.09,253.9901349,4.2,29.5,217,0,1,2,2,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DICLOFOP METHYL,051338-27-3,39985,"methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate",CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3",BACHBFVBHLGWSL-UHFFFAOYSA-N,C16H14Cl2O4,341.2,340.0269143,4.8,44.8,358,0,0,4,6,22,38 °C (Closed cup),175-177 °C at 0.1 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
LACTOFEN [5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITRO-2-ETHOXY-1-METHYL-2-,077501-63-4,62276,(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],"InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3",CONWAEURSVPLRM-UHFFFAOYSA-N,C19H15ClF3NO7,461.8,461.048914,4.1,108,657,0,0,10,8,31,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ACIFLUORFEN SODIUM,062476-59-9,44072,sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+],"InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1",RVULBHWZFCBODE-UHFFFAOYSA-M,C14H6ClF3NNaO5,383.64,382.9784288,,95.2,479,0,0,8,2,25,,>100 °C /47% WATER SOLUTION/,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
FOMESAFEN [5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-N-METHYLSULFONYL)-2-NITROBE,072178-02-0,51556,5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide,CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],"InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)",BGZZWXTVIYUUEY-UHFFFAOYSA-N,C15H10ClF3N2O6S,438.8,437.9900194,2.4,127,693,0,1,9,4,28,,"Clear, pale, yellow odorless liquid; BP: 100.6 °C. Incompatible with acids. Soluble in range of organic solvents /Reflex/",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DECABROMDIPHENYL OXIDE,001163-19-5,14410,"1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene",C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22,WHHGLZMJPXIBIX-UHFFFAOYSA-N,C12Br10O,959.2,959.16804,10.4,9.2,345,0,0,1,2,23,,Decomposes at 425 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
NITROFEN,001836-75-5,15787,"2,4-dichloro-1-(4-nitrophenoxy)benzene",C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H,XITQUSLLOSKDTB-UHFFFAOYSA-N,C12H7Cl2NO3,284.09,282.9802985,4.3,55.1,290,0,0,3,2,18,>200 °C c.c.,"356 to 374 °F at 0.25 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-",000051-48-9,5819,"(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",XUIIKFGFIJCVMT-LBPRGKRZSA-N,C15H11I4NO4,776.87,776.6867,2.4,92.8,420,0,3,5,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Ether, (2,4-dichlorophenyl) (3-methoxy-4-nitrophenyl)",032861-85-1,36250,"4-(2,4-dichlorophenoxy)-2-methoxy-1-nitrobenzene",COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-],"InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3",DXXVCXKMSWHGTF-UHFFFAOYSA-N,C13H9Cl2NO4,314.12,312.9908632,4.6,64.3,339,0,0,4,3,20,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, DODECYLPHENOXY-, DISULFO DERIV.",067993-50-4,90474731,,CCCCCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2.OS(=O)(=O)S(=O)(=O)O,"InChI=1S/C24H34O.H2O6S2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23;1-7(2,3)8(4,5)6/h11,13-16,18-21H,2-10,12,17H2,1H3;(H,1,2,3)(H,4,5,6)",XNLIJZVJSVSZES-UHFFFAOYSA-N,C24H36O7S2,500.7,500.1902458,,135,502,0,2,7,14,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-METHOXY-4-PHENOXY-",001655-69-2,74253,1-methoxy-4-phenoxybenzene,COC1=CC=C(C=C1)OC2=CC=CC=C2,"InChI=1S/C13H12O2/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3",ZRJGNCLNUWKEFU-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.7,18.5,167,0,0,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-METHYL-4-PHENOXY-",001706-12-3,74351,1-methyl-4-phenoxybenzene,CC1=CC=C(C=C1)OC2=CC=CC=C2,"InChI=1S/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3",SSTNIXFHCIOCJI-UHFFFAOYSA-N,C13H12O,184.23,184.088815,4.6,9.2,153,0,0,1,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-PHENOXY-",002215-77-2,75182,4-phenoxybenzoic acid,C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)",RYAQFHLUEMJOMF-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.9,46.5,225,0,1,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-NITRO-2-PHENOXY-",002216-12-8,16661,1-nitro-2-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-],InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,VNHGETRQQSYUGZ-UHFFFAOYSA-N,C12H9NO3,215.2,215.0582431,3.3,55.1,233,0,0,3,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-PHENOXY-",002243-42-7,75237,2-phenoxybenzoic acid,C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O,"InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)",PKRSYEPBQPFNRB-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.1,46.5,233,0,1,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, L-",006893-02-3,5920,"(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid",C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",AUYYCJSJGJYCDS-LBPRGKRZSA-N,C15H12I3NO4,650.97,650.7901,1.7,92.8,402,0,3,5,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(3-PHENOXYPHENYL)-",032852-92-9,36249,1-(3-phenoxyphenyl)ethanone,CC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2,"InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3",FZCDBGYCFVKRDV-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.4,26.3,231,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[4-(TRIFLUOROMETHYL)PHENOXY]-",039634-42-9,170230,4-[4-(trifluoromethyl)phenoxy]phenol,C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)O,"InChI=1S/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H",FJFSSESWAFPCSU-UHFFFAOYSA-N,C13H9F3O2,254.2,254.055464,4.3,29.5,251,0,1,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLYL ETHER,001579-40-4,74098,1-methyl-4-(4-methylphenoxy)benzene,CC1=CC=C(C=C1)OC2=CC=C(C=C2)C,"InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3",YWYHGNUFMPSTTR-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,4.2,9.2,154,0,0,1,2,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRICLOSAN,003380-34-5,5564,"5-chloro-2-(2,4-dichlorophenoxy)phenol",C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N,C12H7Cl3O2,289.5,287.951163,5,29.5,252,0,1,2,2,17,,280 to 290 °C (decomposes),1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, HEXADECYL(SULFOPHENOXY)-, DISODIUM SALT",065143-89-7,90684438,disodium;2-hexadecyl-3-(2-sulfophenoxy)benzenesulfonic acid,CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=CC=CC=C2S(=O)(=O)O.[Na+].[Na+],"InChI=1S/C28H42O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-25(21-18-23-27(24)36(29,30)31)35-26-20-16-17-22-28(26)37(32,33)34;;/h16-18,20-23H,2-15,19H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1",DWBRKIMUGXLNBO-UHFFFAOYSA-N,C28H42Na2O7S2+2,600.7,600.2167346,,135,801,2,2,7,19,39,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, OXYBIS[HEXADECYL-, DISODIUM SALT",070191-76-3,73556608,disodium;5-hexadecyl-2-(4-hexadecyl-2-sulfonatophenoxy)benzenesulfonate,CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)CCCCCCCCCCCCCCCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C44H74O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-33-35-41(43(37-39)52(45,46)47)51-42-36-34-40(38-44(42)53(48,49)50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33-38H,3-32H2,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",ROCJIKGNUXPCCB-UHFFFAOYSA-L,C44H72Na2O7S2,823.2,822.4514855,,140,958,0,0,7,32,55,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROPHENYL PHENYL ETHER,000620-88-2,12110,1-nitro-4-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,JDTMUJBWSGNMGR-UHFFFAOYSA-N,C12H9NO3,215.2,215.0582431,3.8,55.1,225,0,0,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 5-CHLORO-2-(4-CHLOROPHENOXY)-",000121-27-7,67135,5-chloro-2-(4-chlorophenoxy)aniline,C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl,"InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2",WLJSUJOESWTGEX-UHFFFAOYSA-N,C12H9Cl2NO,254.11,253.0061193,4,35.3,219,0,1,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-NITRO-1-(4-NITROPHENOXY)-4-(TRIFLUOROMETHYL)-",015457-05-3,27295,2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H",HHMCAJWVGYGUEF-UHFFFAOYSA-N,C13H7F3N2O5,328.2,328.0307058,3.7,101,440,0,0,8,2,23,,,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PHENYL ETHER,000101-84-8,7583,phenoxybenzene,C1=CC=C(C=C1)OC2=CC=CC=C2,InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,USIUVYZYUHIAEV-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,4.2,9.2,116,0,0,1,2,13,"239 °F (NTP, 1992)","496.27 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROXURON,001982-47-4,16115,"3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea",CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,"InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)",IVUXTESCPZUGJC-UHFFFAOYSA-N,C15H15ClN2O2,290.74,290.0822054,3.5,41.6,309,0,1,2,3,20,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-Dichloro-4,4'-diaminodiphenyl ether",028434-86-8,34239,4-(4-amino-3-chlorophenoxy)-2-chloroaniline,C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)Cl)Cl)N,"InChI=1S/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2",IVVWBIJMWBNKFV-UHFFFAOYSA-N,C12H10Cl2N2O,269.12,268.0170183,3.3,61.3,231,0,2,3,2,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FENOXYCARB [2-(4-PHENOXYPHENOXY)ETHYL]CARBAMIC ACID ETHYL ESTER,072490-01-8,51605,ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate,CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2,"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)",HJUFTIJOISQSKQ-UHFFFAOYSA-N,C17H19NO4,301.34,301.1314081,4.3,56.8,310,0,1,4,8,22,224 °C (435 °F),,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTABROMODIPHENYLOXIDE.,032536-52-0,6537506,"1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene",C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br,InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H,ORYGKUIDIMIRNN-UHFFFAOYSA-N,C12H2Br8O,801.4,801.34907,9,9.2,326,0,0,1,2,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"L-TYROSINE, O-(4-HYDROXY-3,5-DIIODOPHENYL)-3,5-DIIODO-, MONOSODIUM SALT",000055-03-8,23666112,"sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate",C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)[O-])N.[Na+],"InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1",YDTFRJLNMPSCFM-YDALLXLXSA-M,C15H10I4NNaO4,798.85,798.6686,,95.6,426,0,2,5,5,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
Thyroxine-,007488-70-2,853,"2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)",XUIIKFGFIJCVMT-UHFFFAOYSA-N,C15H11I4NO4,776.87,776.6867,2.4,92.8,420,0,3,5,5,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Ether, p-nitrophenyl 2,4,6-trichlorophenyl",001836-77-7,15788,"1,3,5-trichloro-2-(4-nitrophenoxy)benzene",C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl,InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H,XQNAUQUKWRBODG-UHFFFAOYSA-N,C12H6Cl3NO3,318.5,316.941326,4.7,55.1,306,0,0,3,2,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OXYFLUORFEN,042874-03-3,39327,2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene,CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],"InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3",OQMBBFQZGJFLBU-UHFFFAOYSA-N,C15H11ClF3NO4,361.7,361.03287,4.7,64.3,432,0,0,7,4,24,,358.2 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 5-CHLORO-2-(2,4-DICHLOROPHENOXY)-",056966-52-0,92602,"5-chloro-2-(2,4-dichlorophenoxy)aniline",C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl3NO/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,16H2",SOOLDKUMSVNBIW-UHFFFAOYSA-N,C12H8Cl3NO,288.6,286.967147,4.7,35.3,254,0,1,2,2,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-PHENOXYTOLUENE,003586-14-9,19165,1-methyl-3-phenoxybenzene,CC1=CC(=CC=C1)OC2=CC=CC=C2,"InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3",UDONPJKEOAWFGI-UHFFFAOYSA-N,C13H12O,184.23,184.088815,3.7,9.2,161,0,0,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, PENTABROMO(TETRABROMOPHENOXY)-",063936-56-1,45472,"1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene",C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H,CYRHBNRLQMLULE-UHFFFAOYSA-N,C12HBr9O,880.3,879.25958,9.7,9.2,370,0,0,1,2,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-",51-24-1,5803,"2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid",C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",UOWZUVNAGUAEQC-UHFFFAOYSA-N,C14H9I3O4,621.93,621.7635,4.5,66.8,356,0,2,4,4,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 3,5-diiodo-4-(4-hydroxy-3,5-diiodophenoxy)-",67-30-1,65552,"2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid",C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)O,"InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)",PPJYSSNKSXAVDB-UHFFFAOYSA-N,C14H8I4O4,747.83,747.6601,5.2,66.8,373,0,2,4,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, p-phenoxy-",67-36-7,66139,4-phenoxybenzaldehyde,C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O,InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H,QWLHJVDRPZNVBS-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.2,26.3,189,0,0,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, bis(p-nitrophenyl)",101-63-3,7568,1-nitro-4-(4-nitrophenoxy)benzene,C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,MWAGUKZCDDRDCS-UHFFFAOYSA-N,C12H8N2O5,260.2,260.0433214,3.7,101,290,0,0,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-",534-51-0,123675,"2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid",C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I,"InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)",ZHSOTLOTTDYIIK-UHFFFAOYSA-N,C15H13I2NO4,525.08,524.8934,1.1,92.8,365,0,3,5,5,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxy-, 1-methyl ester",577-64-0,3080568,2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid,CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)O)O,"InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)",XOKVHFNTYHPEHN-UHFFFAOYSA-N,C17H16O8,348.3,348.0845175,3,123,481,0,3,8,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, p-chlorophenyl p-nitrophenyl",1836-74-4,15786,1-(4-chlorophenoxy)-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl,InChI=1S/C12H8ClNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,GDEZSMXXDMVYHT-UHFFFAOYSA-N,C12H8ClNO3,249.65,249.0192708,4.5,55.1,253,0,0,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzene, 2,4-dinitro-1-phenoxy-",7/9/86,75597,"2,4-dinitro-1-phenoxybenzene",C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H8N2O5/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H,HQFCELSVOFCACS-UHFFFAOYSA-N,C12H8N2O5,260.2,260.0433214,2.8,101,332,0,0,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 4',4'''-oxydi-",11/4/15,17471,1-[4-(4-acetylphenoxy)phenyl]ethanone,CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C,"InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3",GZRGHDIUPMPHCB-UHFFFAOYSA-N,C16H14O3,254.28,254.0942943,2.9,43.4,289,0,0,3,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2,2-dichloro-N-(2-hydroxyethyl)-N-((4-(4-nitrophenoxy)phenyl)methyl)-",3576-64-5,71819,"2,2-dichloro-N-(2-hydroxyethyl)-N-[[4-(4-nitrophenoxy)phenyl]methyl]acetamide",C1=CC(=CC=C1CN(CCO)C(=O)C(Cl)Cl)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2",ODCUSWJXZDHLKV-UHFFFAOYSA-N,C17H16Cl2N2O5,399.2,398.043627,3.2,95.6,459,0,1,5,7,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, m-phenoxy-",3739-38-6,19539,3-phenoxybenzoic acid,C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O,"InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)",NXTDJHZGHOFSQG-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.9,46.5,233,0,1,3,3,16,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, 2-(o-tolyloxy)-",3840-18-4,19692,2-(2-methylphenoxy)aniline,CC1=CC=CC=C1OC2=CC=CC=C2N,"InChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3",JYJPXACGURQSCB-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,2.8,35.3,195,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)-",1/1/40,627458,"2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene",COC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3",NLYDHBBTVWMLFD-UHFFFAOYSA-N,C13H9Cl3O2,303.6,301.966813,5.5,18.5,265,0,0,2,3,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Phenylenediamine, 4-(p-aminophenoxy)-",6264-66-0,80434,"4-(4-aminophenoxy)benzene-1,2-diamine",C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N,"InChI=1S/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2",MPKIJEUTPZPJFP-UHFFFAOYSA-N,C12H13N3O,215.25,215.105862,1.5,87.3,216,0,3,4,2,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-bromo-3-phenoxy-",6876-00-2,96165,1-bromo-3-phenoxybenzene,C1=CC=C(C=C1)OC2=CC(=CC=C2)Br,InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,AHDAKFFMKLQPTD-UHFFFAOYSA-N,C12H9BrO,249.1,247.98368,4.6,9.2,166,0,0,1,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzoyl chloride, p,p'-oxybis-",7158-32-9,23546,4-(4-carbonochloridoylphenoxy)benzoyl chloride,C1=CC(=CC=C1C(=O)Cl)OC2=CC=C(C=C2)C(=O)Cl,InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,OSUWBBMPVXVSOA-UHFFFAOYSA-N,C14H8Cl2O3,295.1,293.9850495,4.5,43.4,298,0,0,3,4,19,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Ether, 2,4-dichloro-6-fluorophenyl p-nitrophenyl",13738-63-1,26247,"1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene",C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)F,InChI=1S/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H,MVHWKYHDYCGNQN-UHFFFAOYSA-N,C12H6Cl2FNO3,302.08,300.9708766,4.2,55.1,321,0,0,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,1-dimethyl-3-(p-(p-methoxyphenoxy)phenyl)-",14214-32-5,26576,"3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea",CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC,"InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)",AMVYOVYGIJXTQB-UHFFFAOYSA-N,C16H18N2O3,286.33,286.1317424,2.4,50.8,319,0,1,3,4,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 3,3'-oxybis-",15268-07-2,167270,3-(3-aminophenoxy)aniline,C1=CC(=CC(=C1)OC2=CC=CC(=C2)N)N,"InChI=1S/C12H12N2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H,13-14H2",LXJLFVRAWOOQDR-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,2.1,61.3,178,0,2,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Isothiocyanic acid, p-(p-nitrophenoxy)phenyl ester",19881-18-6,68547,1-isothiocyanato-4-(4-nitrophenoxy)benzene,C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H,SVMGVZLUIWGYPH-UHFFFAOYSA-N,C13H8N2O3S,272.28,272.0255633,5.1,99.5,349,0,0,5,3,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-(butylamino)-4-phenoxy-5-sulfamoyl-",28395-03-1,2471,3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid,CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",MAEIEVLCKWDQJH-UHFFFAOYSA-N,C17H20N2O5S,364.4,364.1092929,2.8,127,528,0,3,7,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Ether, bis(p-iodophenyl)",28896-49-3,34360,1-iodo-4-(4-iodophenoxy)benzene,C1=CC(=CC=C1OC2=CC=C(C=C2)I)I,InChI=1S/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,VHEGXFQQYZIMMF-UHFFFAOYSA-N,C12H8I2O,422,421.86646,4.8,9.2,162,0,0,1,2,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, trichlorophenyl",31242-93-0,92384,"1,2,3-trichloro-4-(2,3,4-trichlorophenoxy)benzene",C1=CC(=C(C(=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H,ATIMVMORQPKRPC-UHFFFAOYSA-N,C12H4Cl6O,376.9,375.836381,7.2,9.2,276,0,0,1,2,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
"Benzeneacetic acid, 2-(2,4-dichlorophenoxy)-",34645-84-6,65394,"2-[2-(2,4-dichlorophenoxy)phenyl]acetic acid",C1=CC=C(C(=C1)CC(=O)O)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)",IDKAXRLETRCXKS-UHFFFAOYSA-N,C14H10Cl2O3,297.1,296.0006996,4.8,46.5,311,0,1,3,4,19,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzene, 1,1'-oxybis-, tetrabromo deriv.",40088-47-9,22833475,"1,2,3-tribromo-4-(3-bromophenoxy)benzene",C1=CC(=CC(=C1)Br)OC2=C(C(=C(C=C2)Br)Br)Br,InChI=1S/C12H6Br4O/c13-7-2-1-3-8(6-7)17-10-5-4-9(14)11(15)12(10)16/h1-6H,VIHUMJGEWQPWOT-UHFFFAOYSA-N,C12H6Br4O,485.79,485.71112,6.2,9.2,251,0,0,1,2,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Propanoic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-",40843-25-2,38687,"2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid",CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)",OOLBCHYXZDXLDS-UHFFFAOYSA-N,C15H12Cl2O4,327.2,326.0112642,5,55.8,345,0,1,4,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 2,4-dibromo-1-(4-bromophenoxy)-",41318-75-6,12110098,"2,4-dibromo-1-(4-bromophenoxy)benzene",C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)Br)Br,InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,UPNBETHEXPIWQX-UHFFFAOYSA-N,C12H7Br3O,406.89,405.80265,5.5,9.2,216,0,0,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-, methyl ester",42576-02-3,39230,"methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate",COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-],"InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3",SUSRORUBZHMPCO-UHFFFAOYSA-N,C14H9Cl2NO5,342.1,340.9857778,4.5,81.4,417,0,0,5,4,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(4-(4'-chlorophenoxy)phenoxy)-, isobutyl ester",51337-71-4,100039,2-methylpropyl 2-[4-(4-chlorophenoxy)phenoxy]propanoate,CC(C)COC(=O)C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,"InChI=1S/C19H21ClO4/c1-13(2)12-22-19(21)14(3)23-16-8-10-18(11-9-16)24-17-6-4-15(20)5-7-17/h4-11,13-14H,12H2,1-3H3",XNBRPBFBBCFVEH-UHFFFAOYSA-N,C19H21ClO4,348.8,348.1128368,5.7,44.8,372,0,0,4,8,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, (m-phenoxyphenyl)-",51632-29-2,40075,2-(3-phenoxyphenyl)acetonitrile,C1=CC=C(C=C1)OC2=CC=CC(=C2)CC#N,"InChI=1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2",DKGMALJGFUHPGB-UHFFFAOYSA-N,C14H11NO,209.24,209.084064,3,33,249,0,0,2,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(chloromethyl)-3-phenoxy-",53874-66-1,93291,1-(chloromethyl)-3-phenoxybenzene,C1=CC=C(C=C1)OC2=CC=CC(=C2)CCl,"InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2",QUYVTGFWFHQVRO-UHFFFAOYSA-N,C13H11ClO,218.68,218.0498427,3.8,9.2,177,0,0,1,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenamine, 4-(3-chlorophenoxy)-",56705-51-2,41972,4-(3-chlorophenoxy)aniline,C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)N,"InChI=1S/C12H10ClNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2",COOTUHZXYCEPGE-UHFFFAOYSA-N,C12H10ClNO,219.66,219.0450916,3.9,35.3,192,0,1,2,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 4-(2-chlorophenoxy)-",56705-85-2,41973,4-(2-chlorophenoxy)aniline,C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)Cl,"InChI=1S/C12H10ClNO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2",GKVDUWJVFNUYAR-UHFFFAOYSA-N,C12H10ClNO,219.66,219.0450916,3.6,35.3,192,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (S)-",61826-76-4,9837437,(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile,C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@@H](C#N)O,"InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1",GXUQMKBQDGPMKZ-CQSZACIVSA-N,C14H11NO2,225.24,225.0789786,2.6,53.3,277,0,1,3,3,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenamine, 2-chloro-6-nitro-3-phenoxy-",74070-46-5,92389,2-chloro-6-nitro-3-phenoxyaniline,C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl,"InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2",DDBMQDADIHOWIC-UHFFFAOYSA-N,C12H9ClN2O3,264.66,264.0301698,3.8,81.1,292,0,1,4,2,18,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 4-fluoro-3-phenoxy-",77279-89-1,157032,4-fluoro-3-phenoxybenzoic acid,C1=CC=C(C=C1)OC2=C(C=CC(=C2)C(=O)O)F,"InChI=1S/C13H9FO3/c14-11-7-6-9(13(15)16)8-12(11)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)",VLXNXMTVRWIUJZ-UHFFFAOYSA-N,C13H9FO3,232.21,232.0535723,3.1,46.5,263,0,1,4,3,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, ester with ethyl glycolate",77501-90-7,53672,(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-],"InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3",IPPAUTOBDWNELX-UHFFFAOYSA-N,C18H13ClF3NO7,447.7,447.0332639,3.6,108,628,0,0,10,8,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiourea, N-(2,6-bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)-",80060-09-9,3034380,"1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea",CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2,"InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)",WOWBFOBYOAGEEA-UHFFFAOYSA-N,C23H32N2OS,384.6,384.2235348,6,65.4,447,0,2,2,6,27,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzene, 1,1'-oxybis(3,4-dibromo-",93703-48-1,13283771,"1,2-dibromo-4-(3,4-dibromophenoxy)benzene",C1=CC(=C(C=C1OC2=CC(=C(C=C2)Br)Br)Br)Br,InChI=1S/C12H6Br4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,RYGLOWMCGZHYRQ-UHFFFAOYSA-N,C12H6Br4O,485.79,485.71112,6.2,9.2,227,0,0,1,2,17,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester",100596-38-1,653314,"dimethyl 5-(2-amino-4-methoxycarbonylphenoxy)benzene-1,3-dicarboxylate",COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)N,"InChI=1S/C18H17NO7/c1-23-16(20)10-4-5-15(14(19)9-10)26-13-7-11(17(21)24-2)6-12(8-13)18(22)25-3/h4-9H,19H2,1-3H3",XPNBOEYBQIADSG-UHFFFAOYSA-N,C18H17NO7,359.3,359.1005019,2.3,114,500,0,1,8,8,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, alpha-methyl-p-phenoxy-",102077-19-0,59207,1-(4-phenoxyphenyl)ethanamine,CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N,"InChI=1S/C14H15NO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,15H2,1H3",WSQOGHJCBFRHSI-UHFFFAOYSA-N,C14H15NO,213.27,213.1153641,2.7,35.3,193,0,1,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitro-, sodium salt",108731-70-0,9570991,sodium (1Z)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate,CS(=O)(=O)/N=C(/C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])\[O-].[Na+],"InChI=1S/C15H10ClF3N2O6S.Na/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19;/h2-7H,1H3,(H,20,22);/q;+1/p-1",CRHGSCXKJPJNAB-UHFFFAOYSA-M,C15H9ClF3N2NaO6S,460.7,459.9719636,,133,706,0,0,10,4,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, butyl ester, (2R)-",122008-85-9,180089,butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate,CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F,"InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1",TYIYMOAHACZAMQ-CQSZACIVSA-N,C20H20FNO4,357.4,357.1376363,4.8,68.6,483,0,0,6,9,26,122 °C (closed cup) /from table/,>270 °C (decomposes),1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetamide, alpha-(methoxyimino)-N-methyl-2-phenoxy-, (alpha-E)-",133408-50-1,5483872,(2E)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide,CNC(=O)/C(=N/OC)/C1=CC=CC=C1OC2=CC=CC=C2,"InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+",HIIRDDUVRXCDBN-OBGWFSINSA-N,C16H16N2O3,284.31,284.1160924,3.2,59.9,365,0,1,4,5,21,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)-",,36160,"1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)benzene",C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,InChI=1S/C12H2Br8O/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H,RTUZOQFRIPIWPS-UHFFFAOYSA-N,C12H2Br8O,801.4,801.34907,9,9.2,342,0,0,1,2,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"4-(p-Tolyloxy)aniline, (Z)-N-((4'-methoxy-1H,5'H-(2,2'-bipyrrol)-5'-ylidene)methyl)-",,94519,4-(4-methylphenoxy)aniline,CC1=CC=C(C=C1)OC2=CC=C(C=C2)N,"InChI=1S/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3",VPCGOYHSWIYEMO-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,2.9,35.3,179,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLTHIOPHENE,000554-14-3,11126,2-methylthiophene,CC1=CC=CS1,"InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",XQQBUAPQHNYYRS-UHFFFAOYSA-N,C5H6S,98.17,98.01902136,2.3,28.2,43,0,0,1,0,6,,112.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYLTHIOPHENE,000616-44-4,12024,3-methylthiophene,CC1=CSC=C1,"InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",QENGPZGAWFQWCZ-UHFFFAOYSA-N,C5H6S,98.17,98.01902136,2.3,28.2,43,0,0,1,0,6,,115.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"THIOPHENE, 2-CHLORO-",000096-43-5,7299,2-chlorothiophene,C1=CSC(=C1)Cl,InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H,GSFNQBFZFXUTBN-UHFFFAOYSA-N,C4H3ClS,118.59,117.964399,2.5,28.2,46,0,0,1,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
THIOPHENE,000110-02-1,8030,thiophene,C1=CSC=C1,InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H,YTPLMLYBLZKORZ-UHFFFAOYSA-N,C4H4S,84.14,84.0033713,1.8,28.2,22,0,0,1,0,5,"30 °F (NTP, 1992)","183.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
3-BROMOTHIOPHENE,000872-31-1,13383,3-bromothiophene,C1=CSC=C1Br,InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H,XCMISAPCWHTVNG-UHFFFAOYSA-N,C4H3BrS,163.04,161.91388,2.6,28.2,46,0,0,1,0,6,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
2-BROMOTHIOPHENE,001003-09-4,13851,2-bromothiophene,C1=CSC(=C1)Br,InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H,TUCRZHGAIRVWTI-UHFFFAOYSA-N,C4H3BrS,163.04,161.91388,2.8,28.2,46,0,0,1,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIBROMOTHIOPHENE",003140-93-0,76590,"2,3-dibromothiophene",C1=CSC(=C1Br)Br,InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H,ATRJNSFQBYKFSM-UHFFFAOYSA-N,C4H2Br2S,241.93,241.82235,3.5,28.2,66,0,0,1,0,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"THIOPHENE, 2,5-DICHLORO-",003172-52-9,18501,"2,5-dichlorothiophene",C1=C(SC(=C1)Cl)Cl,InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H,FGYBDASKYMSNCX-UHFFFAOYSA-N,C4H2Cl2S,153.03,151.9254266,3.5,28.2,58,0,0,1,0,7,,,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0
"2,5-DIMETHYLTHIOPHENE",000638-02-8,12514,"2,5-dimethylthiophene",CC1=CC=C(S1)C,"InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",GWQOOADXMVQEFT-UHFFFAOYSA-N,C6H8S,112.19,112.0346714,2.4,28.2,53,0,0,1,0,7,,135.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-HEXYLTHIOPHENE,001693-86-3,566849,3-hexylthiophene,CCCCCCC1=CSC=C1,"InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3",JEDHEMYZURJGRQ-UHFFFAOYSA-N,C10H16S,168.3,168.0972717,5,28.2,90,0,0,1,5,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-VINYL THIOPHENE,013679-64-6,10887853,3-ethenylthiophene,C=CC1=CSC=C1,"InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2",BOJMHHBWYPDQQH-UHFFFAOYSA-N,C6H6S,110.18,110.0190214,2.5,28.2,68,0,0,1,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-BUTYLTHIOPHENE,034722-01-5,566339,3-butylthiophene,CCCCC1=CSC=C1,"InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3",KPOCSQCZXMATFR-UHFFFAOYSA-N,C8H12S,140.25,140.0659716,3.9,28.2,71,0,0,1,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-THIOPHENETHIOL,007774-73-4,82202,thiophene-3-thiol,C1=CSC=C1S,"InChI=1S/C4H4S2/c5-4-1-2-6-3-4/h1-3,5H",VSGXHZUTTFLSBC-UHFFFAOYSA-N,C4H4S2,116.2,115.9754425,2.1,29.2,44,0,1,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-BROMO-5-METHYLTHIOPHENE,000765-58-2,69831,2-bromo-5-methylthiophene,CC1=CC=C(S1)Br,"InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3",ACDLOOGOFKSUPO-UHFFFAOYSA-N,C5H5BrS,177.06,175.92953,3,28.2,65,0,0,1,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-THIOPHENEACETIC ACID,001918-77-0,15970,2-thiophen-2-ylacetic acid,C1=CSC(=C1)CC(=O)O,"InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)",SMJRBWINMFUUDS-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1,65.5,114,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"2,5-DIBROMOTHIOPHENE",003141-27-3,18453,"2,5-dibromothiophene",C1=C(SC(=C1)Br)Br,InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H,KBVDUUXRXJTAJC-UHFFFAOYSA-N,C4H2Br2S,241.93,241.82235,3.7,28.2,58,0,0,1,0,7,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"Ketone, 5-chloro-2-thienyl methyl",006310-09-4,80572,1-(5-chlorothiophen-2-yl)ethanone,CC(=O)C1=CC=C(S1)Cl,"InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3",HTZGPEHWQCRXGZ-UHFFFAOYSA-N,C6H5ClOS,160.62,159.9749636,2.6,45.3,126,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-THIOPHENEACETONITRILE,020893-30-5,72880,2-thiophen-2-ylacetonitrile,C1=CSC(=C1)CC#N,"InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2",CLSHQIDDCJTHAJ-UHFFFAOYSA-N,C6H5NS,123.18,123.0142703,1.3,52,113,0,0,2,1,8,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-3-HEXYLTHIOPHENE,069249-61-2,10960141,2-bromo-3-hexylthiophene,CCCCCCC1=C(SC=C1)Br,"InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3",XQJNXCHDODCAJF-UHFFFAOYSA-N,C10H15BrS,247.2,246.00778,5.6,28.2,116,0,0,1,5,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-BIS(TRIMETHYLSTANNYL)THIOPHENE",086134-26-1,12841052,trimethyl-(5-trimethylstannylthiophen-2-yl)stannane,C[Sn](C)(C)C1=CC=C(S1)[Sn](C)(C)C,InChI=1S/C4H2S.6CH3.2Sn/c1-2-4-5-3-1;;;;;;;;/h1-2H;6*1H3;;,KKRPPVXJVZKJON-UHFFFAOYSA-N,C10H20SSn2,409.8,409.93238,,28.2,158,0,0,1,2,13,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,4-DIAMINOTHIOPHENE DIHYDROCHLORIDE",090069-81-1,12707342,"thiophene-3,4-diamine;dihydrochloride",C1=C(C(=CS1)N)N.Cl.Cl,"InChI=1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H",RAMOMCXNLLLICQ-UHFFFAOYSA-N,C4H8Cl2N2S,187.09,185.9785248,,80.3,58,0,4,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
2-BROMO-3-HEXYL-5-IODOTHIOPHENE,160096-76-4,11474236,2-bromo-3-hexyl-5-iodothiophene,CCCCCCC1=C(SC(=C1)I)Br,"InChI=1S/C10H14BrIS/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7H,2-6H2,1H3",SDMKEQYHISDGKT-UHFFFAOYSA-N,C10H14BrIS,373.09,371.90443,6.3,28.2,143,0,0,1,5,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHIOPROPAMINE HYDROCHLORIDE,007464-94-0,458582,N-methyl-1-thiophen-2-ylpropan-2-amine;hydrochloride,CC(CC1=CC=CS1)NC.Cl,"InChI=1S/C8H13NS.ClH/c1-7(9-2)6-8-4-3-5-10-8;/h3-5,7,9H,6H2,1-2H3;1H",GZPAWYXVXNYUGT-UHFFFAOYSA-N,C8H14ClNS,191.72,191.0535483,,40.3,95,0,2,2,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-ACETYLTHIOPHENE-2-CARBONITRILE,088653-55-8,2747565,5-acetylthiophene-2-carbonitrile,CC(=O)C1=CC=C(S1)C#N,"InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3",VSHPLUBHIUFLES-UHFFFAOYSA-N,C7H5NOS,151.19,151.009185,1.7,69.1,193,0,0,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMO-3-METHYLTHIOPHENE,014282-76-9,84314,2-bromo-3-methylthiophene,CC1=C(SC=C1)Br,"InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3",YYJBWYBULYUKMR-UHFFFAOYSA-N,C5H5BrS,177.06,175.92953,3,28.2,65,0,0,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-THIENYL)-",000088-15-3,6920,1-thiophen-2-ylethanone,CC(=O)C1=CC=CS1,"InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",WYJOVVXUZNRJQY-UHFFFAOYSA-N,C6H6OS,126.18,126.013936,1.2,45.3,101,0,0,2,1,8,,213.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOPHENE, 2-IODO-",003437-95-4,18921,2-iodothiophene,C1=CSC(=C1)I,InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H,ROIMNSWDOJCBFR-UHFFFAOYSA-N,C4H3IS,210.04,209.90002,2.6,28.2,46,0,0,1,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-THIOPHENECARBOXALDEHYDE,000098-03-3,7364,thiophene-2-carbaldehyde,C1=CSC(=C1)C=O,InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H,CNUDBTRUORMMPA-UHFFFAOYSA-N,C5H4OS,112.15,111.9982859,1,45.3,72,0,0,2,1,7,,75.00 to 77.00 °C. @ 11.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-THIOPHENECARBOXYLIC ACID,000527-72-0,10700,thiophene-2-carboxylic acid,C1=CSC(=C1)C(=O)O,"InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",QERYCTSHXKAMIS-UHFFFAOYSA-N,C5H4O2S,128.15,127.9932005,1.6,65.5,103,0,1,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-THIOPHENEMETHANOL,000636-72-6,69467,thiophen-2-ylmethanol,C1=CSC(=C1)CO,"InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",ZPHGMBGIFODUMF-UHFFFAOYSA-N,C5H6OS,114.17,114.013936,0.9,48.5,56,0,1,2,1,7,,206.00 to 207.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(3-OCTYLTHIOPHENE-2,5-DIYL), REGIO-REGULAR",104934-51-2,121233643,"azane;2,5-dimethyl-3-octylthiophene",CCCCCCCCC1=C(SC(=C1)C)C.N,"InChI=1S/C14H24S.H3N/c1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3;/h11H,4-10H2,1-3H3;1H3",RXIQSINDOTYIGV-UHFFFAOYSA-N,C14H27NS,241.44,241.186421,,29.2,155,0,1,2,7,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-THIOPHENECARBOXALDEHYDE,000498-62-4,68135,thiophene-3-carbaldehyde,C1=CSC=C1C=O,InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H,RBIGKSZIQCTIJF-UHFFFAOYSA-N,C5H4OS,112.15,111.9982859,1,45.3,72,0,0,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-THIOPHENEETHANOL,005402-55-1,79400,2-thiophen-2-ylethanol,C1=CSC(=C1)CCO,"InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2",VMJOFTHFJMLIKL-UHFFFAOYSA-N,C6H8OS,128.19,128.0295861,1.3,48.5,65,0,1,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-CHLOROTHIOPHENE,002873-18-9,76133,2-bromo-5-chlorothiophene,C1=C(SC(=C1)Br)Cl,InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H,ZFAJPWYXLYGUJU-UHFFFAOYSA-N,C4H2BrClS,197.48,195.87491,3.6,28.2,68,0,0,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-(3-THIENYL)HEXANOIC ACID,022053-93-6,24722734,6-thiophen-3-ylhexanoic acid,C1=CSC=C1CCCCCC(=O)O,"InChI=1S/C10H14O2S/c11-10(12)5-3-1-2-4-9-6-7-13-8-9/h6-8H,1-5H2,(H,11,12)",RRMBURAUBFTQEY-UHFFFAOYSA-N,C10H14O2S,198.28,198.0714509,2.8,65.5,159,0,1,3,6,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-OCTYLTHIOPHENE,065016-62-8,566852,3-octylthiophene,CCCCCCCCC1=CSC=C1,"InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3",WQYWXQCOYRZFAV-UHFFFAOYSA-N,C12H20S,196.35,196.1285718,6.1,28.2,112,0,0,1,7,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-THIOPHENEBORONIC ACID,006165-69-1,581760,thiophen-3-ylboronic acid,B(C1=CSC=C1)(O)O,"InChI=1S/C4H5BO2S/c6-5(7)4-1-2-8-3-4/h1-3,6-7H",QNMBSXGYAQZCTN-UHFFFAOYSA-N,C4H5BO2S,127.96,128.0103307,,68.7,78,0,2,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-THIOPHENEBORONIC AID,006165-68-0,2733960,thiophen-2-ylboronic acid,B(C1=CC=CS1)(O)O,"InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H",ARYHTUPFQTUBBG-UHFFFAOYSA-N,C4H5BO2S,127.96,128.0103307,,68.7,78,0,2,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-BIS(TRIBUTYLSTANNYL)THIOPHENE",145483-63-2,15210333,tributyl-(5-tributylstannylthiophen-2-yl)stannane,CCCC[Sn](CCCC)(CCCC)C1=CC=C(S1)[Sn](CCCC)(CCCC)CCCC,"InChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3;;",ITAZQNRIMIQTDI-UHFFFAOYSA-N,C28H56SSn2,662.2,662.21408,,28.2,344,0,0,1,20,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIOPHENE-3-CARBONITRILE,001641-09-4,74231,thiophene-3-carbonitrile,C1=CSC=C1C#N,"InChI=1S/C5H3NS/c6-3-5-1-2-7-4-5/h1-2,4H",GSXCEVHRIVLFJV-UHFFFAOYSA-N,C5H3NS,109.15,108.9986203,1.3,52,102,0,0,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3.4-DIMETHOXYTHIOPHENE,051792-34-8,3613501,"3,4-dimethoxythiophene",COC1=CSC=C1OC,"InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3",ZUDCKLVMBAXBIF-UHFFFAOYSA-N,C6H8O2S,144.19,144.0245007,1.5,46.7,77,0,0,3,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-HEXANEDIONE, 4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-",000559-94-4,68411,"4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione",C1=CSC(=C1)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C10H5F7O2S/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2",QHOQGOZSTQAYRH-UHFFFAOYSA-N,C10H5F7O2S,322.2,321.9898477,3.9,62.4,405,0,0,10,5,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPHENE, 2-NITRO-",000609-40-5,11866,2-nitrothiophene,C1=CSC(=C1)[N+](=O)[O-],InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H,JIZRGGUCOQKGQD-UHFFFAOYSA-N,C4H3NO2S,129.14,128.9884495,1.6,74.1,101,0,0,3,0,8,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"THIOPHENE, 2,3,5-TRIBROMO-",003141-24-0,76592,"2,3,5-tribromothiophene",C1=C(SC(=C1Br)Br)Br,InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H,SKDNDSLDRLEELJ-UHFFFAOYSA-N,C4HBr3S,320.83,319.73286,4.3,28.2,87,0,0,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPHENE, 2-PENTYL-",004861-58-9,20995,2-pentylthiophene,CCCCCC1=CC=CS1,"InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",NOYVOSGVFSEKPR-UHFFFAOYSA-N,C9H14S,154.27,154.0816216,4.3,28.2,80,0,0,1,4,10,,96.00 °C. @ 30.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIOPHENECARBOXALDEHYDE, 5-CHLORO-",007283-96-7,81700,5-chlorothiophene-2-carbaldehyde,C1=C(SC(=C1)Cl)C=O,InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H,VWYFITBWBRVBSW-UHFFFAOYSA-N,C5H3ClOS,146.6,145.9593136,2.4,45.3,96,0,0,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENECARBOXALDEHYDE, 5-METHYL-",013679-70-4,61663,5-methylthiophene-2-carbaldehyde,CC1=CC=C(S1)C=O,"InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",VAUMDUIUEPIGHM-UHFFFAOYSA-N,C6H6OS,126.18,126.013936,1.8,45.3,92,0,0,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiophenecarboxylic acid, 4-methyl-3-(2-(propylamino)propionamido)-, methyl",023964-57-0,32169,methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate;hydrochloride,CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl,"InChI=1S/C13H20N2O3S.ClH/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4;/h7,9,14H,5-6H2,1-4H3,(H,15,16);1H",GDWDBGSWGNEMGJ-UHFFFAOYSA-N,C13H21ClN2O3S,320.84,320.0961414,,95.7,325,0,3,5,7,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENECARBOXALDEHYDE, 5-ETHYL-",036880-33-8,169830,5-ethylthiophene-2-carbaldehyde,CCC1=CC=C(S1)C=O,"InChI=1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3",CLQXZICUPGZTPE-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2.2,45.3,103,0,0,2,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABROMOTHIOPHENE,003958-03-0,77565,"2,3,4,5-tetrabromothiophene",C1(=C(SC(=C1Br)Br)Br)Br,InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7,AVPWUAFYDNQGNZ-UHFFFAOYSA-N,C4Br4S,399.73,399.64132,5,28.2,96,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CHLORO-N-(2,4-DIMETHYL-3-THIENYL)-N-((1S)-2-METHOXY-1-METHYLETHYL)ACETAMIDE",163515-14-8,13633097,"2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide",CC1=CSC(=C1N([C@@H](C)COC)C(=O)CCl)C,"InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1",JLYFCTQDENRSOL-VIFPVBQESA-N,C12H18ClNO2S,275.8,275.0746777,2.6,57.8,265,0,0,3,5,17,,>= 280 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-THIOPHENEGLYOXYLIC ACID,004075-59-6,77694,2-oxo-2-thiophen-2-ylacetic acid,C1=CSC(=C1)C(=O)C(=O)O,"InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)",GIWRVUADKUVEGU-UHFFFAOYSA-N,C6H4O3S,156.16,155.9881152,1.1,82.6,166,0,1,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-THIOPHENESULFONYL CHLORIDE,016629-19-9,85518,thiophene-2-sulfonyl chloride,C1=CSC(=C1)S(=O)(=O)Cl,"InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H",VNNLHYZDXIBHKZ-UHFFFAOYSA-N,C4H3ClO2S2,182.7,181.9262994,1.2,70.8,181,0,0,3,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-THIOPHENEACETIC ACID,006964-21-2,23404,2-thiophen-3-ylacetic acid,C1=CSC=C1CC(=O)O,"InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)",RCNOGGGBSSVMAS-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1.1,65.5,114,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-THIOPHENESULFONYL CHLORIDE,051175-71-4,2776378,thiophene-3-sulfonyl chloride,C1=CSC=C1S(=O)(=O)Cl,"InChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H",YSPWSQNKRBSICH-UHFFFAOYSA-N,C4H3ClO2S2,182.7,181.9262994,1.6,70.8,181,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-BROMOTHIOPHENE-2-SULFONYL CHLORIDE,055854-46-1,2733924,5-bromothiophene-2-sulfonyl chloride,C1=C(SC(=C1)Br)S(=O)(=O)Cl,"InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H",WGYBIEOLAFYDEC-UHFFFAOYSA-N,C4H2BrClO2S2,261.5,259.83681,3,70.8,210,0,0,3,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
(2-THIENYLMETHYL)AMINE,027757-85-3,34005,thiophen-2-ylmethanamine,C1=CSC(=C1)CN,"InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2",FKKJJPMGAWGYPN-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,0.6,54.3,56,0,1,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-THIOPHENECARBONYL CHLORIDE,005271-67-0,78928,thiophene-2-carbonyl chloride,C1=CSC(=C1)C(=O)Cl,InChI=1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H,QIQITDHWZYEEPA-UHFFFAOYSA-N,C5H3ClOS,146.6,145.9593136,2.6,45.3,105,0,0,2,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-THIOPHENEACETYL CHLORIDE,039098-97-0,162362,2-thiophen-2-ylacetyl chloride,C1=CSC(=C1)CC(=O)Cl,"InChI=1S/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2",AJYXPNIENRLELY-UHFFFAOYSA-N,C6H5ClOS,160.62,159.9749636,2,45.3,116,0,0,2,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
THENOYLTRIFLUOROACETONE,000326-91-0,5601,"4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione",C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",TXBBUSUXYMIVOS-UHFFFAOYSA-N,C8H5F3O2S,222.19,221.9962351,2.2,62.4,249,0,0,6,3,14,,96-98 °C at 8.00E+00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIBROMOTHIOPHENE",003141-26-2,18452,"3,4-dibromothiophene",C1=C(C(=CS1)Br)Br,InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H,VGKLVWTVCUDISO-UHFFFAOYSA-N,C4H2Br2S,241.93,241.82235,3,28.2,58,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(2-THIENYL)-DL-ALANINE,002021-58-1,91444,2-amino-3-thiophen-2-ylpropanoic acid,C1=CSC(=C1)CC(C(=O)O)N,"InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)",WTOFYLAWDLQMBZ-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,-1.7,91.6,151,0,2,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-2-THIOPHENECARBOXALDEHYDE,005834-16-2,79911,3-methylthiophene-2-carbaldehyde,CC1=C(SC=C1)C=O,"InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3",BSQKBHXYEKVKMN-UHFFFAOYSA-N,C6H6OS,126.18,126.013936,1.8,45.3,92,0,0,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-THIOPHENEMETHANOL,071637-34-8,123570,thiophen-3-ylmethanol,C1=CSC=C1CO,"InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2",BOWIFWCBNWWZOG-UHFFFAOYSA-N,C5H6OS,114.17,114.013936,0.7,48.5,56,0,1,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-THIOPHENEMALONIC ACID,021080-92-2,88782,2-thiophen-3-ylpropanedioic acid,C1=CSC=C1C(C(=O)O)C(=O)O,"InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)",GCOOGCQWQFRJEK-UHFFFAOYSA-N,C7H6O4S,186.19,185.9986798,0.9,103,190,0,2,5,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXY-2-THIENYLSILANE,017984-89-3,10879423,triethoxy(thiophen-2-yl)silane,CCO[Si](C1=CC=CS1)(OCC)OCC,"InChI=1S/C10H18O3SSi/c1-4-11-15(12-5-2,13-6-3)10-8-7-9-14-10/h7-9H,4-6H2,1-3H3",ZRQAIBMAFLMIND-UHFFFAOYSA-N,C10H18O3SSi,246.4,246.0745921,,55.9,163,0,0,4,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIIODOTHIOPHENE",000625-88-7,69368,"2,5-diiodothiophene",C1=C(SC(=C1)I)I,InChI=1S/C4H2I2S/c5-3-1-2-4(6)7-3/h1-2H,PNYWRAHWEIOAGK-UHFFFAOYSA-N,C4H2I2S,335.93,335.79667,3,28.2,58,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-2-CHLOROTHIOPHENE,040032-73-3,2724559,3-bromo-2-chlorothiophene,C1=CSC(=C1Br)Cl,InChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H,KSHOQKKCPJELBV-UHFFFAOYSA-N,C4H2BrClS,197.48,195.87491,3.5,28.2,68,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-THIOPHENECARBOXYLIC ACID,007311-63-9,349115,5-bromothiophene-2-carboxylic acid,C1=C(SC(=C1)Br)C(=O)O,"InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)",COWZPSUDTMGBAT-UHFFFAOYSA-N,C5H3BrO2S,207.05,205.90371,2.5,65.5,128,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPHENE-2,5-DICARBALDEHYDE",000932-95-6,587784,"thiophene-2,5-dicarbaldehyde",C1=C(SC(=C1)C=O)C=O,InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H,OTMRXENQDSQACG-UHFFFAOYSA-N,C6H4O2S,140.16,139.9932005,1.2,62.4,110,0,0,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENAMINE, 3,5-DINITRO-",002045-70-7,74895,"3,5-dinitrothiophen-2-amine",C1=C(SC(=C1[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2",DZRZHFOFVWAKGT-UHFFFAOYSA-N,C4H3N3O4S,189.15,188.9844268,1.8,146,211,0,1,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENEACETIC ACID, .ALPHA.-AMINO-, (-)-",004052-59-9,89435,2-amino-2-thiophen-2-ylacetic acid,C1=CSC(=C1)C(C(=O)O)N,"InChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)",XLMSKXASROPJNG-UHFFFAOYSA-N,C6H7NO2S,157.19,157.0197496,-2,91.6,140,0,2,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-THIOPHENEDICARBOXYLIC ACID",004282-31-9,20273,"thiophene-2,5-dicarboxylic acid",C1=C(SC(=C1)C(=O)O)C(=O)O,"InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",YCGAZNXXGKTASZ-UHFFFAOYSA-N,C6H4O4S,172.16,171.9830298,1.3,103,171,0,2,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENECARBOXYLIC ACID, 3-(AMINOSULFONYL)-, METHYL ESTER",059337-93-8,101012,methyl 3-sulfamoylthiophene-2-carboxylate,COC(=O)C1=C(C=CS1)S(=O)(=O)N,"InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)",PMXNPOJHBQDJKS-UHFFFAOYSA-N,C6H7NO4S2,221.3,220.9816501,0.4,123,294,0,1,6,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIOPHENAMINE, N-(2-METHOXY-1-METHYLETHYL)-2,4-DIMETHYL-",087676-07-1,124089,"N-(1-methoxypropan-2-yl)-2,4-dimethylthiophen-3-amine",CC1=CSC(=C1NC(C)COC)C,"InChI=1S/C10H17NOS/c1-7-6-13-9(3)10(7)11-8(2)5-12-4/h6,8,11H,5H2,1-4H3",MKTFWDHZGUUGQZ-UHFFFAOYSA-N,C10H17NOS,199.32,199.1030853,2.6,49.5,154,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-3-N-OCTYLTHIOPHENE,145543-83-5,10754854,2-bromo-3-octylthiophene,CCCCCCCCC1=C(SC=C1)Br,"InChI=1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3",ISONQKSIWXLJOQ-UHFFFAOYSA-N,C12H19BrS,275.25,274.03908,6.7,28.2,138,0,0,1,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-Thiophenecarboxylic acid,88-13-1,6918,thiophene-3-carboxylic acid,C1=CSC=C1C(=O)O,"InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",YNVOMSDITJMNET-UHFFFAOYSA-N,C5H4O2S,128.15,127.9932005,1.5,65.5,103,0,1,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, 2-(2-nitrovinyl)-",874-84-0,687329,2-[(E)-2-nitroethenyl]thiophene,C1=CSC(=C1)/C=C/[N+](=O)[O-],InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+,UTPOWFFIBWOQRK-ONEGZZNKSA-N,C6H5NO2S,155.18,155.0040996,2,74.1,152,0,0,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxaldehyde, 5-bromo-, oxime",2160-63-6,9578377,(NE)-N-[(5-bromothiophen-2-yl)methylidene]hydroxylamine,C1=C(SC(=C1)Br)/C=N/O,"InChI=1S/C5H4BrNOS/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+",URLSTLFAZRSULI-XVNBXDOJSA-N,C5H4BrNOS,206.06,204.9197,2.7,60.8,120,0,1,3,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 2,5-dimethyl-3-thienyl methyl",10/1/30,520191,"1-(2,5-dimethylthiophen-3-yl)ethanone",CC1=CC(=C(S1)C)C(=O)C,"InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3",PUSJAEJRDNPYKM-UHFFFAOYSA-N,C8H10OS,154.23,154.0452361,2.1,45.3,144,0,0,2,1,10,,223.00 to 225.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Boronic acid, (5-formyl-2-thienyl)-",4347-33-5,2773430,(5-formylthiophen-2-yl)boronic acid,B(C1=CC=C(S1)C=O)(O)O,"InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H",DEQOVKFWRPOPQP-UHFFFAOYSA-N,C5H5BO3S,155.97,156.0052454,,85.8,130,0,2,4,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxaldehyde, thiosemicarbazone",5351-91-7,6861431,[(E)-thiophen-2-ylmethylideneamino]thiourea,C1=CSC(=C1)/C=N/NC(=S)N,"InChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+",YNTKURSKMLATKI-XBXARRHUSA-N,C6H7N3S2,185.3,185.0081396,1.5,111,169,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Thiophenecarboxamide,5813-89-8,22063,thiophene-2-carboxamide,C1=CSC(=C1)C(=O)N,"InChI=1S/C5H5NOS/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)",DENPQNAWGQXKCU-UHFFFAOYSA-N,C5H5NOS,127.17,127.009185,0.5,71.3,105,0,1,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, 2,3,4,5-tetrachloro-",6012-97-1,22344,"2,3,4,5-tetrachlorothiophene",C1(=C(SC(=C1Cl)Cl)Cl)Cl,InChI=1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7,WZXXZHONLFRKGG-UHFFFAOYSA-N,C4Cl4S,221.9,221.844532,4.8,28.2,96,0,0,1,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-Thiophenesulfonamide,6339-87-3,72881,thiophene-2-sulfonamide,C1=CSC(=C1)S(=O)(=O)N,"InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)",KTFDYVNEGTXQCV-UHFFFAOYSA-N,C4H5NO2S2,163.2,162.9761708,-0.3,96.8,181,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, methyl 5-methyl-2-thienyl",13679-74-8,83655,1-(5-methylthiophen-2-yl)ethanone,CC1=CC=C(S1)C(=O)C,"InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",YOSDTJYMDAEEAZ-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2,45.3,122,0,0,2,1,9,,232.00 to 234.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-Thiophenedicarbonitrile, 2,5-diamino-",17989-89-8,101381,"2,5-diaminothiophene-3,4-dicarbonitrile",C(#N)C1=C(SC(=C1C#N)N)N,InChI=1S/C6H4N4S/c7-1-3-4(2-8)6(10)11-5(3)9/h9-10H2,TXCXJWUMYTXWMR-UHFFFAOYSA-N,C6H4N4S,164.19,164.0156673,1.4,128,220,0,2,5,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiophenecarboxylic acid, 5-methyl-",19156-50-4,209069,5-methylthiophene-3-carboxylic acid,CC1=CC(=CS1)C(=O)O,"InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)",VFORWJLUXKGLAH-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1.5,65.5,124,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-2-thenyl-",21403-24-7,30617,N-(thiophen-2-ylmethyl)acetamide,CC(=O)NCC1=CC=CS1,"InChI=1S/C7H9NOS/c1-6(9)8-5-7-3-2-4-10-7/h2-4H,5H2,1H3,(H,8,9)",BQRIKSCISYLMQV-UHFFFAOYSA-N,C7H9NOS,155.22,155.0404851,0.8,57.3,127,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxylic acid, 3-amino-, methyl ester",22288-78-4,89652,methyl 3-aminothiophene-2-carboxylate,COC(=O)C1=C(C=CS1)N,"InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3",TWEQNZZOOFKOER-UHFFFAOYSA-N,C6H7NO2S,157.19,157.0197496,1.7,80.6,140,0,1,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxylic acid, 5-chloro-",24065-33-6,95048,5-chlorothiophene-2-carboxylic acid,C1=C(SC(=C1)Cl)C(=O)O,"InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)",QZLSBOVWPHXCLT-UHFFFAOYSA-N,C5H3ClO2S,162.59,161.9542282,2.4,65.5,128,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ketone, methyl (5-nitro-2-thienyl)",39565-00-9,38293,1-(5-nitrothiophen-2-yl)ethanone,CC(=O)C1=CC=C(S1)[N+](=O)[O-],"InChI=1S/C6H5NO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3",CMXUIQITENCDHH-UHFFFAOYSA-N,C6H5NO3S,171.18,170.9990142,1.8,91.1,189,0,0,4,1,11,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3-Thiophenamine, 2-nitro-",52003-20-0,100818,2-nitrothiophen-3-amine,C1=CSC(=C1N)[N+](=O)[O-],"InChI=1S/C4H4N2O2S/c5-3-1-2-9-4(3)6(7)8/h1-2H,5H2",GADHYUUHHGADGT-UHFFFAOYSA-N,C4H4N2O2S,144.15,143.9993486,1.6,100,124,0,1,4,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenesulfonamide, 5-chloro-",53595-66-7,1241301,5-chlorothiophene-2-sulfonamide,C1=C(SC(=C1)Cl)S(=O)(=O)N,"InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)",RKLQLYBJAZBSEU-UHFFFAOYSA-N,C4H4ClNO2S2,197.7,196.9371984,1.2,96.8,210,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiophenesulfonamide, 2,5-dichloro-",53595-68-9,2799888,"2,5-dichlorothiophene-3-sulfonamide",C1=C(SC(=C1S(=O)(=O)N)Cl)Cl,"InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)",BUQKISCVZMIFEF-UHFFFAOYSA-N,C4H3Cl2NO2S2,232.1,230.8982261,2.1,96.8,237,0,1,4,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 1-(2-thenyl)-, hydrochloride",53632-92-1,12280954,1-thiophen-2-ylpropan-2-amine;hydrochloride,CC(CC1=CC=CS1)N.Cl,"InChI=1S/C7H11NS.ClH/c1-6(8)5-7-3-2-4-9-7;/h2-4,6H,5,8H2,1H3;1H",MJRDCJBNRNAXIK-UHFFFAOYSA-N,C7H12ClNS,177.7,177.0378983,,54.3,85,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-",59337-97-2,3042286,3-sulfamoylthiophene-2-carboxylic acid,C1=CSC(=C1S(=O)(=O)N)C(=O)O,"InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)",NRAVSUNXRBRPRE-UHFFFAOYSA-N,C5H5NO4S2,207.2,206.966,0,134,280,0,2,6,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Thiopheneethanamine,64059-34-3,116521,2-thiophen-2-ylethanamine,C1=CSC(=C1)CCN,"InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2",HVLUYXIJZLDNIS-UHFFFAOYSA-N,C6H9NS,127.21,127.0455705,1,54.3,65,0,1,2,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxamide, 3-methoxy-",78031-17-1,593881,3-methoxythiophene-2-carboxamide,COC1=C(SC=C1)C(=O)N,"InChI=1S/C6H7NO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8)",GJMQULWNKQLTIM-UHFFFAOYSA-N,C6H7NO2S,157.19,157.0197496,0.8,80.6,140,0,1,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester",79277-18-2,157296,methyl 3-isocyanatosulfonylthiophene-2-carboxylate,COC(=O)C1=C(C=CS1)S(=O)(=O)N=C=O,"InChI=1S/C7H5NO5S2/c1-13-7(10)6-5(2-3-14-6)15(11,12)8-4-9/h2-3H,1H3",VJQINSVXSJNRLA-UHFFFAOYSA-N,C7H5NO5S2,247.3,246.9609146,2.2,126,392,0,0,7,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-",87674-68-8,91744,"2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide",CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C,"InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3",JLYFCTQDENRSOL-UHFFFAOYSA-N,C12H18ClNO2S,275.8,275.0746777,2.6,57.8,265,0,0,3,5,17,,BP: 127 °C at 26.7 Pa,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-Thiophenemethanamine, N-(cyclopropylmethyl)-alpha-ethyl-N-methyl-alpha-(3-phenyl-2-propenyl)-",137246-18-5,2776381,thiophen-3-ylmethanamine,C1=CSC=C1CN,"InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2",DUDAKCCDHRNMDJ-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,0.5,54.3,56,0,1,2,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Borate(1-), trifluoro(3-thienyl)-, potassium",192863-37-9,23677379,potassium trifluoro(thiophen-3-yl)boranuide,[B-](C1=CSC=C1)(F)(F)F.[K+],"InChI=1S/C4H3BF3S.K/c6-5(7,8)4-1-2-9-3-4;/h1-3H;/q-1;+1",ULOOPHJJEPUNNH-UHFFFAOYSA-N,C4H3BF3KS,190.04,189.9637674,,28.2,107,0,0,5,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiophenepropanoic acid, beta-(hydroxyamino)-",227473-88-3,268918,3-thiophen-3-ylpropanoic acid,C1=CSC=C1CCC(=O)O,"InChI=1S/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)",YUSDDNTYMDWOCY-UHFFFAOYSA-N,C7H8O2S,156.2,156.0245007,1.8,65.5,125,0,1,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiopheneacetamide, alpha-(heptylamino)-",,78208,2-thiophen-2-ylacetamide,C1=CSC(=C1)CC(=O)N,"InChI=1S/C6H7NOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,7,8)",UUPZTFTUZUQRQT-UHFFFAOYSA-N,C6H7NOS,141.19,141.024835,0.3,71.3,116,0,1,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarbonitrile, 5-(4-(1-hydroxy-1-(4-methoxyphenyl)ethyl)-2-quinazolinyl)-",,66087,thiophene-2-carbonitrile,C1=CSC(=C1)C#N,InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H,CUPOOAWTRIURFT-UHFFFAOYSA-N,C5H3NS,109.15,108.9986203,1.3,52,102,0,0,2,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenecarboximidamide, N-(4-(2-(((3-chlorophenyl)methyl)amino)ethyl)phenyl)-, dihydrochloride",,2781760,thiophene-2-carboximidamide,C1=CSC(=C1)C(=N)N,"InChI=1S/C5H6N2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7)",QSELGEUCFNFITD-UHFFFAOYSA-N,C5H6N2S,126.18,126.0251694,0.6,78.1,103,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FURAN-D4,006142-90-1,2733420,"2,3,4,5-tetradeuteriofuran",[2H]C1=C(OC(=C1[2H])[2H])[2H],"InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H/i1D,2D,3D,4D",YLQBMQCUIZJEEH-RHQRLBAQSA-N,C4H4O,72.1,72.05132173,1.3,13.1,22,0,0,1,0,5,,,0,0,1,1,0,1,1,0,1,0,1,0,0,0,0,0,1,0,1,0
FURAN,000110-00-9,8029,furan,C1=COC=C1,InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,YLQBMQCUIZJEEH-UHFFFAOYSA-N,C4H4O,68.07,68.02621475,1.3,13.1,22,0,0,1,0,5,"Less than 32F (EPA, 1998)","90 °F at 758 mmHg (EPA, 1998)",0,0,1,1,0,1,1,0,1,0,1,0,0,0,0,0,1,0,1,0
"2,5-DIMETHYLFURAN",000625-86-5,12266,"2,5-dimethylfuran",CC1=CC=C(O1)C,"InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",GSNUFIFRDBKVIE-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,2.2,13.1,53,0,0,1,0,7,"30.2 °F (NTP, 1992)","198 to 201 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYLFURAN,000534-22-5,10797,2-methylfuran,CC1=CC=CO1,"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",VQKFNUFAXTZWDK-UHFFFAOYSA-N,C5H6O,82.1,82.04186481,1.8,13.1,43,0,0,1,0,6,"-22 °F (NTP, 1992)","145 to 151 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLFURAN,003208-16-0,18554,2-ethylfuran,CCC1=CC=CO1,"InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",HLPIHRDZBHXTFJ-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,2.4,13.1,52,0,0,1,1,7,,92.00 to 93.00 °C. @ 765.00 mm Hg,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-FURANMETHANAMINE,000617-89-0,3438,furan-2-ylmethanamine,C1=COC(=C1)CN,"InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2",DDRPCXLAQZKBJP-UHFFFAOYSA-N,C5H7NO,97.12,97.05276385,0.4,39.2,56,0,1,2,1,7,"99 °F (NFPA, 2010)",,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-BUTYLFURAN,004466-24-4,20534,2-butylfuran,CCCCC1=CC=CO1,"InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3",NWZIYQNUCXUJJJ-UHFFFAOYSA-N,C8H12O,124.18,124.088815,3.1,13.1,71,0,0,1,3,9,,139.00 to 140.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"3-FURANTHIOL, 2-METHYL-",028588-74-1,34286,2-methylfuran-3-thiol,CC1=C(C=CO1)S,"InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3",RUYNUXHHUVUINQ-UHFFFAOYSA-N,C5H6OS,114.17,114.013936,1.5,14.1,65,0,1,2,0,7,,57.00 to 60.00 °C. @ 44.00 mm Hg,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
2-PENTYLFURAN,003777-69-3,19602,2-pentylfuran,CCCCCC1=CC=CO1,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",YVBAUDVGOFCUSG-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,3.7,13.1,80,0,0,1,4,10,,64.00 to 66.00 °C. @ 23.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-FURANMETHANETHIOL,000098-02-2,7363,furan-2-ylmethanethiol,C1=COC(=C1)CS,"InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2",ZFFTZDQKIXPDAF-UHFFFAOYSA-N,C5H6OS,114.17,114.013936,1.3,14.1,56,0,1,2,1,7,,263.00 to 265.00 °C. @ 17.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"FURANCARBOXYLIC ACID, METHYL ESTER",001334-76-5,14918,methyl furan-3-carboxylate,COC(=O)C1=COC=C1,"InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3",ZKHQSQYLKSSYIP-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,1.3,39.4,111,0,0,3,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-FURANMETHANAMINE, N-METHYL-",004753-75-7,78492,1-(furan-2-yl)-N-methylmethanamine,CNCC1=CC=CO1,"InChI=1S/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3",DGLIOWSKNOCHEX-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,0.5,25.2,65,0,1,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-FURANPROPANOIC ACID, ETHYL ESTER",010031-90-0,61450,ethyl 3-(furan-2-yl)propanoate,CCOC(=O)CCC1=CC=CO1,"InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3",OWIWZQQFSTZZIG-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,1.4,39.4,145,0,0,3,5,12,,260.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2-METHYL-5-(METHYLTHIO)-",013678-59-6,61657,2-methyl-5-methylsulfanylfuran,CC1=CC=C(O1)SC,"InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3",RESBOJMQOGJOMW-UHFFFAOYSA-N,C6H8OS,128.19,128.0295861,2.7,38.4,74,0,0,2,1,8,,66.00 to 67.00 °C. @ 23.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANONE, 4-(2-FURANYL)-",000699-17-2,12780,4-(furan-2-yl)butan-2-one,CC(=O)CCC1=CC=CO1,"InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3",GGJUJWSDTDBTLX-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.8,30.2,120,0,0,2,3,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-FURANCARBOXYLIC ACID, 1-METHYLETHYL ESTER",006270-34-4,80452,propan-2-yl furan-2-carboxylate,CC(C)OC(=O)C1=CC=CO1,"InChI=1S/C8H10O3/c1-6(2)11-8(9)7-4-3-5-10-7/h3-6H,1-2H3",IIISLCMALFIFKE-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.8,39.4,142,0,0,3,3,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-FURANCARBOXYLIC ACID, METHYL ESTER",000611-13-2,11902,methyl furan-2-carboxylate,COC(=O)C1=CC=CO1,"InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3",HDJLSECJEQSPKW-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,1,39.4,111,0,0,3,2,9,,181.00 to 182.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(2-FURANYL)-",001192-62-7,14505,1-(furan-2-yl)ethanone,CC(=O)C1=CC=CO1,"InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",IEMMBWWQXVXBEU-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.5,30.2,98,0,0,2,1,8,,67.00 °C. @ 10.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FURFURAL,000098-01-1,7362,furan-2-carbaldehyde,C1=COC(=C1)C=O,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,HYBBIBNJHNGZAN-UHFFFAOYSA-N,C5H4O2,96.08,96.02112937,0.4,30.2,70,0,0,2,1,7,"140 °F (NTP, 1992)","323.1 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FUROYL CHLORIDE,000527-69-5,68242,furan-2-carbonyl chloride,C1=COC(=C1)C(=O)Cl,InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H,OFTKFKYVSBNYEC-UHFFFAOYSA-N,C5H3ClO2,130.53,129.982157,1.5,30.2,103,0,0,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-FURANMETHANOL, .ALPHA.-(AMINOMETHYL)-",002745-22-4,2756441,2-amino-1-(furan-2-yl)ethanol,C1=COC(=C1)C(CN)O,"InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2",JWQAFPHYLSGNSK-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,-0.8,59.4,87,0,2,3,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FURFURYL ACETATE,000623-17-6,12170,furan-2-ylmethyl acetate,CC(=O)OCC1=CC=CO1,"InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",CKOYRRWBOKMNRG-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.7,39.4,122,0,0,3,3,10,"150 °F (NTP, 1992)","347 to 351 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-NITRO-2-FURALDEHYDE SEMICARBAZONE,000059-87-0,5447130,[(E)-(5-nitrofuran-2-yl)methylideneamino]urea,C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",IAIWVQXQOWNYOU-FPYGCLRLSA-N,C6H6N4O4,198.14,198.0389047,0.2,126,261,0,2,5,2,14,,236-240 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-FURANDIMETHANOL",001883-75-6,74663,[5-(hydroxymethyl)furan-2-yl]methanol,C1=C(OC(=C1)CO)CO,"InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2",DSLRVRBSNLHVBH-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,-0.7,53.6,74,0,2,3,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FURYLBORONIC ACID,013331-23-2,2734357,furan-2-ylboronic acid,B(C1=CC=CO1)(O)O,"InChI=1S/C4H5BO3/c6-5(7)4-2-1-3-8-4/h1-3,6-7H",PZJSZBJLOWMDRG-UHFFFAOYSA-N,C4H5BO3,111.89,112.0331742,,53.6,75,0,2,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIMETHYL FURAN-2,5-DICARBOXYLATE",004282-32-0,303530,"dimethyl furan-2,5-dicarboxylate",COC(=O)C1=CC=C(O1)C(=O)OC,"InChI=1S/C8H8O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3",UWQOPFRNDNVUOA-UHFFFAOYSA-N,C8H8O5,184.15,184.0371734,1,65.7,191,0,0,5,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-FURANPROPANOIC ACID, 2-METHYLPROPYL ESTER",000105-01-1,7733,2-methylpropyl 3-(furan-2-yl)propanoate,CC(C)COC(=O)CCC1=CC=CO1,"InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3",SVDPTFHRRNUNRS-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,2.3,39.4,177,0,0,3,6,14,,105.00 °C. @ 3.00 mm Hg,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-BUTEN-2-ONE, 4-(2-FURANYL)-",000623-15-4,212930,4-(furan-2-yl)but-3-en-2-one,CC(=O)C=CC1=CC=CO1,"InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3",GBKGJMYPQZODMI-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.4,30.2,149,0,0,2,2,10,"greater than 200 °F (NTP, 1992)","234 to 239 °F at 10 mmHg ; decomposes at 444 °F (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 3-(2-FURANYL)-, PROPYL ESTER",000623-22-3,6537093,propyl (E)-3-(furan-2-yl)prop-2-enoate,CCCOC(=O)/C=C/C1=CC=CO1,"InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5+",RRFBKGHLBNBFGL-AATRIKPKSA-N,C10H12O3,180.2,180.0786442,2.2,39.4,187,0,0,3,5,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENAL, 3-(2-FURANYL)-2-METHYL-",000874-66-8,6210220,(E)-3-(furan-2-yl)-2-methylprop-2-enal,C/C(=C\C1=CC=CO1)/C=O,"InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+",ZNBXZUKDRRRQJK-FNORWQNLSA-N,C8H8O2,136.15,136.0524295,1.6,30.2,149,0,0,2,2,10,,110.00 °C. @ 2.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2-[(METHYLTHIO)METHYL]-",001438-91-1,518937,2-(methylsulfanylmethyl)furan,CSCC1=CC=CO1,"InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3",SKSFHXVDHVKIBN-UHFFFAOYSA-N,C6H8OS,128.19,128.0295861,1.6,38.4,65,0,0,2,2,8,,64.00 to 65.00 °C. @ 15.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2-[[(1-METHYLETHYL)THIO]METHYL]-",001883-78-9,61282,2-(propan-2-ylsulfanylmethyl)furan,CC(C)SCC1=CC=CO1,"InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3",WCHRNAKORAINOJ-UHFFFAOYSA-N,C8H12OS,156.25,156.0608862,2.4,38.4,93,0,0,2,3,10,,79.00 to 80.00 °C. @ 12.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2-(METHOXYMETHYL)-",013679-46-4,61661,2-(methoxymethyl)furan,COCC1=CC=CO1,"InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3",GANSPRKOWQQXPE-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.9,22.4,63,0,0,2,2,8,,134.00 to 135.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-FURANCARBOTHIOIC ACID, S-METHYL ESTER",013679-61-3,61662,S-methyl furan-2-carbothioate,CSC(=O)C1=CC=CO1,"InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3",ISKUAGFDTRLBHG-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1.4,55.5,114,0,0,3,2,9,,63.00 °C. @ 2.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANOIC ACID, 2-FURANYLMETHYL ESTER",036701-01-6,61955,furan-2-ylmethyl pentanoate,CCCCC(=O)OCC1=CC=CO1,"InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3",HRYAVTBTUKVHBU-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,2.1,39.4,156,0,0,3,6,13,,82.00 to 83.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2-[(METHYLDITHIO)METHYL]-",057500-00-2,62131,2-[(methyldisulfanyl)methyl]furan,CSSCC1=CC=CO1,"InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3",CLSLQQCDHOZMDT-UHFFFAOYSA-N,C6H8OS2,160.3,160.0016572,1.5,63.7,77,0,0,3,3,9,,64.00 to 65.00 °C. @ 15.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANETHIOIC ACID, S-(2-FURANYLMETHYL) ESTER",059020-90-5,62144,S-(furan-2-ylmethyl) methanethioate,C1=COC(=C1)CSC=O,"InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2",GFAOAYJTEVHTLA-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1.3,55.5,95,0,0,3,3,9,,66.00 °C. @ 15.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANEDIOL, (5-NITRO-2-FURANYL)-, DIACETATE (ESTER)",000092-55-7,7097,[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,"InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3",HSXKWKJCZNRMJO-UHFFFAOYSA-N,C9H9NO7,243.17,243.0379016,1.1,112,308,0,0,7,5,17,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
FURFURYL ALCOHOL,000098-00-0,7361,furan-2-ylmethanol,C1=COC(=C1)CO,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",XPFVYQJUAUNWIW-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.3,33.4,54,0,1,2,1,7,"167 °F (NTP, 1992)","338 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,1
2-FURANACROLEIN,000623-30-3,12174,3-(furan-2-yl)prop-2-enal,C1=COC(=C1)C=CC=O,InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H,VZIRCHXYMBFNFD-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,1.1,30.2,118,0,0,2,2,9,,"275 °F at 14 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RANITIDINE HYDROCHLORIDE,066357-59-3,3033332,"(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride",CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.Cl,"InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;",GGWBHVILAJZWKJ-KJEVSKRMSA-N,C13H23ClN4O3S,350.87,350.1179395,,112,347,0,3,7,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
LABEL,,47909,"1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride",CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl,"InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H",GGWBHVILAJZWKJ-UHFFFAOYSA-N,C13H23ClN4O3S,350.87,350.1179395,,112,347,0,3,7,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
2-FUROIC ACID,000088-14-2,6919,furan-2-carboxylic acid,C1=COC(=C1)C(=O)O,"InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",SMNDYUVBFMFKNZ-UHFFFAOYSA-N,C5H4O3,112.08,112.016044,0.5,50.4,99,0,1,3,1,8,,230.00 to 232.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYMETHYL-2-FURALDEHYDE,000067-47-0,237332,5-(hydroxymethyl)furan-2-carbaldehyde,C1=C(OC(=C1)C=O)CO,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",NOEGNKMFWQHSLB-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,-0.6,50.4,102,0,1,3,2,9,,BP: 115 °C at 1 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-(DIMETHYLAMINOMETHYL)FURFURYL ALCOHOL HYDROCHLORIDE,081074-81-9,3086123,[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride,CN(C)CC1=CC=C(O1)CO.Cl,"InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H",UDLQUVLALYCAMJ-UHFFFAOYSA-N,C8H14ClNO2,191.65,191.0713064,,36.6,117,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-FURANDICARBOXYLIC ACID",003238-40-2,76720,"furan-2,5-dicarboxylic acid",C1=C(OC(=C1)C(=O)O)C(=O)O,"InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",CHTHALBTIRVDBM-UHFFFAOYSA-N,C6H4O5,156.09,156.0058732,0.7,87.7,167,0,2,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FURFURYL METHACRYLATE,003454-28-2,76993,furan-2-ylmethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1=CC=CO1,"InChI=1S/C9H10O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5H,1,6H2,2H3",DWXAVNJYFLGAEF-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.7,39.4,186,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BUTANEDIONE, 4,4,4-TRIFLUORO-1-(2-FURANYL)-",000326-90-9,67594,"4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione",C1=COC(=C1)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",OWLPCALGCHDBCN-UHFFFAOYSA-N,C8H5F3O3,206.12,206.0190785,1.5,47.3,247,0,0,6,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-(2-FURANYL)-",000539-47-9,10876,3-(furan-2-yl)prop-2-enoic acid,C1=COC(=C1)C=CC(=O)O,"InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)",ZCJLOOJRNPHKAV-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.2,50.4,151,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYL-2-FURANCARBOXALDEHYDE,000620-02-0,12097,5-methylfuran-2-carbaldehyde,CC1=CC=C(O1)C=O,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",OUDFNZMQXZILJD-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.7,30.2,90,0,0,2,1,8,,89.00 to 90.00 °C. @ 26.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2-(DIETHOXYMETHYL)-",013529-27-6,83553,2-(diethoxymethyl)furan,CCOC(C1=CC=CO1)OCC,"InChI=1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3",SEILDMUKBMYIEZ-UHFFFAOYSA-N,C9H14O3,170.21,170.0942943,1.4,31.6,110,0,0,3,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANETHIOIC ACID, S-(2-FURANYLMETHYL) ESTER",013678-68-7,61660,S-(furan-2-ylmethyl) ethanethioate,CC(=O)SCC1=CC=CO1,"InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",LQOUTUIIYXYBQW-UHFFFAOYSA-N,C7H8O2S,156.2,156.0245007,1.3,55.5,125,0,0,3,3,10,,90.00 to 92.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXANONE, 1-(2-FURANYL)-",014360-50-0,61738,1-(furan-2-yl)hexan-1-one,CCCCCC(=O)C1=CC=CO1,"InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3",YUAYWSBSIJVIBS-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.4,30.2,143,0,0,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BUTANEDIONE, 1-(2-FURANYL)-",025790-35-6,12168,"1-(furan-2-yl)butane-1,3-dione",CC(=O)CC(=O)C1=CC=CO1,"InChI=1S/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3",GPYKJDYMMUIUFG-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.4,47.3,174,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-FURANPROPANAL, .BETA.,5-DIMETHYL-",031704-80-0,3578033,3-(5-methylfuran-2-yl)butanal,CC1=CC=C(O1)C(C)CC=O,"InChI=1S/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3",DFSVNSCDOZSUCT-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.4,30.2,134,0,0,2,3,11,,93.00 to 94.00 °C. @ 14.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANETHIOIC ACID, S-(2-METHYL-3-FURANYL) ESTER",055764-25-5,108765,S-(2-methylfuran-3-yl) ethanethioate,CC1=C(C=CO1)SC(=O)C,"InChI=1S/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3",PQFIBPDAGFGLBY-UHFFFAOYSA-N,C7H8O2S,156.2,156.0245007,1.7,55.5,136,0,0,3,2,10,,222.00 to 224.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANETHIOIC ACID, S-(2-FURANYLMETHYL) ESTER",059020-85-8,62143,S-(furan-2-ylmethyl) propanethioate,CCC(=O)SCC1=CC=CO1,"InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3",JNVPDFNCAUOOIT-UHFFFAOYSA-N,C8H10O2S,170.23,170.0401507,1.7,55.5,136,0,0,3,4,11,,95.00 to 97.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Pentanone, 1-(3-furanyl)-4-methyl-",553-84-4,68381,1-(furan-3-yl)-4-methylpentan-1-one,CC(C)CCC(=O)C1=COC=C1,"InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3",LVHLZMUFIYAEQB-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.8,30.2,152,0,0,2,4,12,,223.00 to 225.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furan, 2-nitro-",609-39-2,11865,2-nitrofuran,C1=COC(=C1)[N+](=O)[O-],InChI=1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H,FUBFWTUFPGFHOJ-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,0.7,59,97,0,0,3,0,8,,,0,1,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2-Furoic acid, 5-nitro-",645-12-5,12577,5-nitrofuran-2-carboxylic acid,C1=C(OC(=C1)[N+](=O)[O-])C(=O)O,"InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)",IODMEDPPCXSFLD-UHFFFAOYSA-N,C5H3NO5,157.08,157.0011222,1,96.3,186,0,1,5,1,11,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"2-Furaldehyde, 5-nitro-",698-63-5,12774,5-nitrofuran-2-carbaldehyde,C1=C(OC(=C1)[N+](=O)[O-])C=O,InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,SXINBFXPADXIEY-UHFFFAOYSA-N,C5H3NO4,141.08,141.0062076,1,76,152,0,0,4,1,10,,128-132 °C @ 10 MM HG,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0
"Furan, 2-(2-nitrovinyl)-",699-18-3,687331,2-[(E)-2-nitroethenyl]furan,C1=COC(=C1)/C=C/[N+](=O)[O-],InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+,WVUICGOYGDHVBH-ONEGZZNKSA-N,C6H5NO3,139.11,139.026943,1.6,59,150,0,0,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furan, 3-methyl-",930-27-8,13587,3-methylfuran,CC1=COC=C1,"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3",KJRRQXYWFQKJIP-UHFFFAOYSA-N,C5H6O,82.1,82.04186481,1.4,13.1,43,0,0,1,0,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furoic acid, 5-nitro-, ethyl ester",943-37-3,70341,ethyl 5-nitrofuran-2-carboxylate,CCOC(=O)C1=CC=C(O1)[N+](=O)[O-],"InChI=1S/C7H7NO5/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4H,2H2,1H3",JMNXLAQKIHVFIC-UHFFFAOYSA-N,C7H7NO5,185.13,185.0324223,1.7,85.3,211,0,0,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, ((5-nitrofurfurylidene)amino)-, monohydrochloride",946-48-5,9570078,2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine;hydrochloride,C1=C(OC(=C1)[N+](=O)[O-])/C=N/N=C(N)N.Cl,"InChI=1S/C6H7N5O3.ClH/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13;/h1-3H,(H4,7,8,10);1H/b9-3+;",CHJIFAUFPHYNTD-JSGFVSQVSA-N,C6H8ClN5O3,233.61,233.0315668,,136,267,0,3,5,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furan, 2-acetyl-5-methyl-",1193-79-9,14514,1-(5-methylfuran-2-yl)ethanone,CC1=CC=C(O1)C(=O)C,"InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",KEFJLCGVTHRGAH-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.4,30.2,120,0,0,2,1,9,,100.00 to 101.00 °C. @ 25.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, (5-methylfurfuryl)trimethyl-, iodide",1197-60-0,70973,trimethyl-[(5-methylfuran-2-yl)methyl]azanium iodide,CC1=CC=C(O1)C[N+](C)(C)C.[I-],"InChI=1S/C9H16NO.HI/c1-8-5-6-9(11-8)7-10(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1",IHTCZSNKQINGDD-UHFFFAOYSA-M,C9H16INO,281.13,281.02766,,13.1,128,0,0,2,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"2-Furanacrolein, 5-nitro-",1874-22-2,5462962,(E)-3-(5-nitrofuran-2-yl)prop-2-enal,C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=O,InChI=1S/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H/b2-1+,DXWCZMGIIFEEPU-OWOJBTEDSA-N,C7H5NO4,167.12,167.0218576,1,76,208,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"2-Furoic acid, 5-nitro-, methyl ester",1874-23-3,94882,methyl 5-nitrofuran-2-carboxylate,COC(=O)C1=CC=C(O1)[N+](=O)[O-],"InChI=1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3",UTLKCGPAJUYGOM-UHFFFAOYSA-N,C6H5NO5,171.11,171.0167723,1,85.3,199,0,0,5,2,12,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Furfuryl alcohol, 5-nitro-",4/1/93,17230,(5-nitrofuran-2-yl)methanol,C1=C(OC(=C1)[N+](=O)[O-])CO,"InChI=1S/C5H5NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2",NDSTUUPEXNCUNW-UHFFFAOYSA-N,C5H5NO4,143.1,143.0218576,0.4,79.2,132,0,1,4,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, furfurylidene-",3237-22-7,18606,2-(furan-2-ylmethylidene)propanedinitrile,C1=COC(=C1)C=C(C#N)C#N,InChI=1S/C8H4N2O/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H,CRUJHLHRJSNZIU-UHFFFAOYSA-N,C8H4N2O,144.13,144.0323628,1.4,60.7,244,0,0,3,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furoic acid, hydrazide",3326-71-4,18731,furan-2-carbohydrazide,C1=COC(=C1)C(=O)NN,"InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)",SKTSVWWOAIAIKI-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.5,68.3,116,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furanacrylamide, alpha-cyano-",3695-90-7,870752,(E)-2-cyano-3-(furan-2-yl)prop-2-enamide,C1=COC(=C1)/C=C(\C#N)/C(=O)N,"InChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+",KWNPZKPESLVGOB-GQCTYLIASA-N,C8H6N2O2,162.15,162.0429274,0.7,80,261,0,1,3,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Furanmethanol, 5-methyl-",3857-25-8,520911,(5-methylfuran-2-yl)methanol,CC1=CC=C(O1)CO,"InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3",VOZFDEJGHQWZHU-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.5,33.4,72,0,1,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-Furanmethanol,4412-91-3,20449,furan-3-ylmethanol,C1=COC=C1CO,"InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2",STJIISDMSMJQQK-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.3,33.4,54,0,1,2,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Furaldehyde, thiosemicarbazone",5419-96-5,5354427,[(Z)-furan-2-ylmethylideneamino]thiourea,C1=COC(=C1)/C=N\NC(=S)N,"InChI=1S/C6H7N3OS/c7-6(11)9-8-4-5-2-1-3-10-5/h1-4H,(H3,7,9,11)/b8-4-",ZLHKUOXVUSHCLN-YWEYNIOJSA-N,C6H7N3OS,169.21,169.030983,0.6,95.6,171,0,2,3,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-2-furoyl-",5657-19-2,21863,2-(furan-2-carbonylamino)acetic acid,C1=COC(=C1)C(=O)NCC(=O)O,"InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)",KSPQDMRTZZYQLM-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,-0.1,79.5,192,0,2,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mercury, chloro(2-furyl)-",5857-37-4,22131,chloro(furan-2-yl)mercury,C1=COC(=C1)[Hg]Cl,InChI=1S/C4H3O.ClH.Hg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1,PJIDVHUAUADUJP-UHFFFAOYSA-M,C4H3ClHgO,303.11,303.957886,,13.1,59,0,0,1,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Furanacrylic acid, 5-nitro-",6281-23-8,702695,(E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid,C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)O,"InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+",LWOWNIPZHGWKNR-DUXPYHPUSA-N,C7H5NO5,183.12,183.0167723,0.7,96.3,244,0,1,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furancarboxylic acid, 5-(hydroxymethyl)-",6338-41-6,80642,5-(hydroxymethyl)furan-2-carboxylic acid,C1=C(OC(=C1)C(=O)O)CO,"InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)",PCSKKIUURRTAEM-UHFFFAOYSA-N,C6H6O4,142.11,142.0266087,0,70.7,134,0,2,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furancarboxylic acid, tetrahydro-4-methyl-5-oxo-2-tridecyl-, (2R,3S,4S)-",19464-85-8,10268,furan-3-carboxylic acid,C1=COC=C1C(=O)O,"InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",IHCCAYCGZOLTEU-UHFFFAOYSA-N,C5H4O3,112.08,112.016044,1,50.4,99,0,1,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Buten-2-one, 4-(2-furanyl)-, homopolymer",25398-39-4,735940,(E)-4-(furan-2-yl)but-3-en-2-one,CC(=O)/C=C/C1=CC=CO1,"InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+",GBKGJMYPQZODMI-SNAWJCMRSA-N,C8H8O2,136.15,136.0524295,1.4,30.2,149,0,0,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furan, dimethyl-",28802-49-5,34337,"2,3-dimethylfuran",CC1=C(OC=C1)C,"InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3",FJSKXQVRKZTKSI-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,1.8,13.1,61,0,0,1,0,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-Furancarboximidamide, N-hydroxy-",50892-99-4,5745289,N'-hydroxyfuran-2-carboximidamide,C1=COC(=C1)/C(=N/O)/N,"InChI=1S/C5H6N2O2/c6-5(7-8)4-2-1-3-9-4/h1-3,8H,(H2,6,7)",BYRPNZFONPLHNA-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,0.1,71.8,124,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furanthiol, 2,5-dimethyl-",55764-23-3,41569,"2,5-dimethylfuran-3-thiol",CC1=CC(=C(O1)C)S,"InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3",DBBHCZMXKBCICL-UHFFFAOYSA-N,C6H8OS,128.19,128.0295861,1.9,14.1,84,0,1,2,0,8,,175.00 to 177.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Isovaleric acid, thio-, S-2,5-dimethyl-3-furyl ester",55764-28-8,41570,"S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate",CC1=CC(=C(O1)C)SC(=O)CC(C)C,"InChI=1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3",XFNLWIPNTYNNJX-UHFFFAOYSA-N,C11H16O2S,212.31,212.0871009,3.3,55.5,203,0,0,3,4,14,,124.00 to 125.00 °C. @ 6.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Disulfide, 2-methyl-3-furyl propyl",61197-09-9,43579,2-methyl-3-(propyldisulfanyl)furan,CCCSSC1=C(OC=C1)C,"InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3",YFPPCUTVJGGSQC-UHFFFAOYSA-N,C8H12OS2,188.3,188.0329574,2.8,63.7,108,0,0,3,4,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Heptanone, 3-((2-methyl-3-furyl)thio)-",61295-41-8,43598,3-(2-methylfuran-3-yl)sulfanylheptan-4-one,CCCC(=O)C(CC)SC1=C(OC=C1)C,"InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3",GFRRQSASJZMMJC-UHFFFAOYSA-N,C12H18O2S,226.34,226.102751,3.4,55.5,206,0,0,3,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-",63981-22-6,9576651,2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetic acid,C1=C(OC(=C1)[N+](=O)[O-])/C=N/N(CC(=O)O)C(=O)N,"InChI=1S/C8H8N4O6/c9-8(15)11(4-7(13)14)10-3-5-1-2-6(18-5)12(16)17/h1-3H,4H2,(H2,9,15)(H,13,14)/b10-3+",URYZARAFMQWNPZ-XCVCLJGOSA-N,C8H8N4O6,256.17,256.044384,-0.1,155,378,0,2,7,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Disulfide, 2-methyl-3-furyl methyl",65505-17-1,47649,2-methyl-3-(methyldisulfanyl)furan,CC1=C(C=CO1)SSC,"InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3",SRUTWBWLFKSTIS-UHFFFAOYSA-N,C6H8OS2,160.3,160.0016572,1.9,63.7,87,0,0,3,2,9,,213.00 to 217.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-",66357-35-5,3001055,"(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine",CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+",VMXUWOKSQNHOCA-UKTHLTGXSA-N,C13H22N4O3S,314.41,314.1412618,0.3,112,347,0,2,7,9,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-, N-oxide",73857-20-2,62985,"N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide",CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-],"InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3",DFJVUWAHTQPQCV-UHFFFAOYSA-N,C13H22N4O4S,330.41,330.1361764,-0.3,126,387,0,2,7,9,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-chloro-N-methyl-N-((5-methyl-2-furanyl)methyl)-",75228-74-9,3058404,2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide,CC1=CC=C(O1)CN(C)C(=O)CCl,"InChI=1S/C9H12ClNO2/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3",FWBLCAAYFDBWMO-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,1.3,33.5,186,0,0,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furanpropanoic acid, beta-(hydroxyamino)-",227473-89-4,13310353,3-(furan-3-yl)propanoic acid,C1=COC=C1CCC(=O)O,"InChI=1S/C7H8O3/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)",SPRXJNFEKDNZEI-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.7,50.4,122,0,1,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furanmethanamine, tetrahydro-N,N-dimethyl-5,5-diphenyl-, hydrochloride",,2776197,furan-3-ylmethanamine,C1=COC=C1CN,"InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2",XNABHFLZYMCJHE-UHFFFAOYSA-N,C5H7NO,97.12,97.05276385,0,39.2,56,0,1,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furanpropanoic acid, beta-(aminomethyl)-4,5-dichloro-",,70286,3-(furan-2-yl)propanoic acid,C1=COC(=C1)CCC(=O)O,"InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)",XLTJXJJMUFDQEZ-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.7,50.4,122,0,1,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furansulfonamide, N-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino)carbonyl)-4-(1-hydroxy-1-methylethyl)-",,13668256,furan-2-sulfonamide,C1=COC(=C1)S(=O)(=O)N,"InChI=1S/C4H5NO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)",RHBMVXBGYGIDJN-UHFFFAOYSA-N,C4H5NO3S,147.15,146.9990142,-0.1,81.7,180,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(+)-KETOPROFEN,022161-81-5,667550,(2S)-2-(3-benzoylphenyl)propanoic acid,C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",DKYWVDODHFEZIM-NSHDSACASA-N,C16H14O3,254.28,254.0942943,3.1,54.4,331,0,1,3,4,19,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 3-BENZOYL-.ALPHA.-METHYL-",022071-15-4,3825,2-(3-benzoylphenyl)propanoic acid,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N,C16H14O3,254.28,254.0942943,3.1,54.4,331,0,1,3,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, 3-benzoyl-alpha-methyl-, sodium salt",057495-14-4,23684815,sodium 2-(3-benzoylphenyl)propanoate,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)[O-].[Na+],"InChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1",OAPDLBHLMVYMCW-UHFFFAOYSA-M,C16H13NaO3,276.26,276.0762386,,57.2,337,0,0,3,4,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2',4,4'-TETRAHYDROXYBENZOPHENONE",000131-55-5,8571,"bis(2,4-dihydroxyphenyl)methanone",C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H",WXNRYSGJLQFHBR-UHFFFAOYSA-N,C13H10O5,246.21,246.0528234,2.4,98,278,0,4,5,2,18,,491 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"4,4'-DICHLOROBENZOPHENONE",000090-98-2,7034,bis(4-chlorophenyl)methanone,C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,OKISUZLXOYGIFP-UHFFFAOYSA-N,C13H8Cl2O,251.1,249.9952203,4.9,17.1,214,0,0,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-FLUOROPHENYL)METHANONE,000345-92-6,9582,bis(4-fluorophenyl)methanone,C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F,InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,LSQARZALBDFYQZ-UHFFFAOYSA-N,C13H8F2O,218.2,218.0543212,3.8,17.1,214,0,0,3,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBENZOPHENONE,001137-41-3,14346,(4-aminophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N,"InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2",RBKHNGHPZZZJCI-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,2.7,43.1,213,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLYL PHENYLKETONE,000134-84-9,8652,(4-methylphenyl)-phenylmethanone,CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3",WXPWZZHELZEVPO-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.8,17.1,207,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-(BROMOETHYL)BENZOPHENONE,022071-24-5,89586,[3-(bromomethyl)phenyl]-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CBr,"InChI=1S/C14H11BrO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2",SZJQXQICJDHRJE-UHFFFAOYSA-N,C14H11BrO,275.14,273.99933,3.8,17.1,233,0,0,1,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(4-CHLOROBENZOYL)-",000085-56-3,66564,2-(4-chlorobenzoyl)benzoic acid,C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O,"InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)",YWECCEXWKFHHQJ-UHFFFAOYSA-N,C14H9ClO3,260.67,260.0240218,3.1,54.4,321,0,1,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(3-AMINO-4-CHLOROBENZOYL)-",000118-04-7,67037,2-(3-amino-4-chlorobenzoyl)benzoic acid,C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)N)C(=O)O,"InChI=1S/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)",MQECGSWGDQIHHD-UHFFFAOYSA-N,C14H10ClNO3,275.68,275.0349209,2.7,80.4,361,0,2,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, PHENYL(2,4,6-TRIMETHYLPHENYL)-",000954-16-5,70380,"phenyl-(2,4,6-trimethylphenyl)methanone",CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C,"InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3",HPAFOABSQZMTHE-UHFFFAOYSA-N,C16H16O,224.3,224.1201151,4.4,17.1,253,0,0,1,2,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, (2-AMINO-5-CHLOROPHENYL)(2-CHLOROPHENYL)-",002958-36-3,18069,(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone,C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl,"InChI=1S/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2",KWZYIAJRFJVQDO-UHFFFAOYSA-N,C13H9Cl2NO,266.12,265.0061193,4.4,43.1,285,0,1,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, (2-CHLOROPHENYL)PHENYL-",005162-03-8,78838,(2-chlorophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl,InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,VMHYWKBKHMYRNF-UHFFFAOYSA-N,C13H9ClO,216.66,216.0341926,4,17.1,221,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOPHENONE-4-ISOTHIOCYANATE,026328-59-6,11436384,(4-isothiocyanatophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=S,InChI=1S/C14H9NOS/c16-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15-10-17/h1-9H,FMSYGGOEIOBUOR-UHFFFAOYSA-N,C14H9NOS,239.29,239.0404851,4.8,61.5,308,0,0,3,3,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENYL(2,3,4-TRIHYDROXYPHENYL)METHANONE",001143-72-2,70837,"phenyl-(2,3,4-trihydroxyphenyl)methanone",C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O,"InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H",HTQNYBBTZSBWKL-UHFFFAOYSA-N,C13H10O4,230.22,230.0579088,2.8,77.8,273,0,3,4,2,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2-METHOXY-",004065-45-6,19988,5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid,COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N,C14H12O6S,308.31,308.0354593,2.2,109,462,0,2,6,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"4,4'-DIMETHYLBENZOPHENONE",000611-97-2,69148,bis(4-methylphenyl)methanone,CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C,"InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3",ZWPWLKXZYNXATK-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,3.6,17.1,206,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHYL)BENZOPHENONE,000728-86-9,69767,phenyl-[4-(trifluoromethyl)phenyl]methanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F,"InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H",OHTYZZYAMUVKQS-UHFFFAOYSA-N,C14H9F3O,250.21,250.0605494,4.1,17.1,284,0,0,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(TRIFLUOROMETHYL)BENZOPHENONE,000728-81-4,69766,phenyl-[3-(trifluoromethyl)phenyl]methanone,C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(F)(F)F,"InChI=1S/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H",IOXDAYKKVHAKSX-UHFFFAOYSA-N,C14H9F3O,250.21,250.0605494,4.1,17.1,292,0,0,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYBENZOPHENONE,001137-42-4,14347,(4-hydroxyphenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O,"InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H",NPFYZDNDJHZQKY-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.1,37.3,211,0,1,2,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
2-HYDROXY-5-METHYLBENZOPHENONE,001470-57-1,73851,(2-hydroxy-5-methylphenyl)-phenylmethanone,CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2,"InChI=1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3",OQERFUGURPLBQH-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.9,37.3,243,0,1,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYBENZOPHENONE,000117-99-7,8348,(2-hydroxyphenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O,"InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H",HJIAMFHSAAEUKR-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3.5,37.3,219,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROBENZOPHENONE,001144-74-7,70839,(4-nitrophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,ZYMCBJWUWHHVRX-UHFFFAOYSA-N,C13H9NO3,227.21,227.0582431,3.3,62.9,284,0,0,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZOYLBENZOIC ACID,000611-95-0,69147,4-benzoylbenzoic acid,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)",IFQUPKAISSPFTE-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3,54.4,284,0,1,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYBENZOPHENONE,013020-57-0,83050,(3-hydroxyphenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O,"InChI=1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H",SHULEACXTONYPS-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,3,37.3,219,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIMETHOXYBENZOPHENONE",000090-96-0,7032,bis(4-methoxyphenyl)methanone,COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC,"InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3",RFVHVYKVRGKLNK-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,3.6,35.5,235,0,0,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZOYLBENZOIC ACID,000579-18-0,101386,3-benzoylbenzoic acid,C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O,"InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)",AXJXRLHTQQONQR-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3.2,54.4,292,0,1,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLBENZOPHENONE,000131-58-8,67230,(2-methylphenyl)-phenylmethanone,CC1=CC=CC=C1C(=O)C2=CC=CC=C2,"InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3",CKGKXGQVRVAKEA-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.1,17.1,215,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(TRIFLUOROMETHYL)BENZOPHENONE,000727-99-1,69764,phenyl-[2-(trifluoromethyl)phenyl]methanone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(F)(F)F,"InChI=1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H",JXIWJBWMQXDALU-UHFFFAOYSA-N,C14H9F3O,250.21,250.0605494,4.1,17.1,292,0,0,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOYLBENZOIC ACID,000085-52-9,6813,2-benzoylbenzoic acid,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)",FGTYTUFKXYPTML-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,2.3,54.4,292,0,1,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIMETHYLAMINO)BENZOPHENONE,000530-44-9,10737,[4-(dimethylamino)phenyl]-phenylmethanone,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3",BEUGBYXJXMVRFO-UHFFFAOYSA-N,C15H15NO,225.28,225.1153641,3.5,20.3,248,0,0,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-(4-BENZOYL-3-HYDROXYPHENOXY)ETHYL ESTER",016432-81-8,85416,2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate,C=CC(=O)OCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,"InChI=1S/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2",NMMXJQKTXREVGN-UHFFFAOYSA-N,C18H16O5,312.3,312.0997736,3.9,72.8,414,0,1,5,8,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-Bromobenzophenone,000090-90-4,7030,(4-bromophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br,InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,KEOLYBMGRQYQTN-UHFFFAOYSA-N,C13H9BrO,261.11,259.98368,4.1,17.1,213,0,0,1,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"4,4'-DIBROMOBENZOPHENONE",003988-03-2,72868,bis(4-bromophenyl)methanone,C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br,InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,LFABNOYDEODDFX-UHFFFAOYSA-N,C13H8Br2O,340.01,339.89214,5,17.1,214,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIAMINOBENZOPHENONE",000611-98-3,69149,bis(4-aminophenyl)methanone,C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N,"InChI=1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2",ZLSMCQSGRWNEGX-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,2.3,69.1,214,0,2,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(BROMOMETHYL)BENZOPHENONE,032752-54-8,122951,[4-(bromomethyl)phenyl]-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CBr,"InChI=1S/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2",RYULULVJWLRDQH-UHFFFAOYSA-N,C14H11BrO,275.14,273.99933,3.8,17.1,225,0,0,1,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2H10)BENZOPHENONE,022583-75-1,3035154,"bis(2,3,4,5,6-pentadeuteriophenyl)methanone",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",RWCCWEUUXYIKHB-LHNTUAQVSA-N,C13H10O,192.28,192.1359324,3.4,17.1,165,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, (2-CHLOROPHENYL)(4-CHLOROPHENYL)-",000085-29-0,66558,(2-chlorophenyl)-(4-chlorophenyl)methanone,C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,YXMYPHLWXBXNFF-UHFFFAOYSA-N,C13H8Cl2O,251.1,249.9952203,4.4,17.1,246,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-(4-CHLORO-3-NITROBENZOYL)-",000085-54-1,66562,2-(4-chloro-3-nitrobenzoyl)benzoic acid,C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O,"InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)",RITAQDHCJBLSSL-UHFFFAOYSA-N,C14H8ClNO5,305.67,305.0091,3.4,100,436,0,1,5,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(4-METHYLBENZOYL)-",000085-55-2,66563,2-(4-methylbenzoyl)benzoic acid,CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)",ICQOWIXIHDDXDI-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.8,54.4,316,0,1,3,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, BIS[4-(DIETHYLAMINO)PHENYL]-",000090-93-7,66663,bis[4-(diethylamino)phenyl]methanone,CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC,"InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3",VYHBFRJRBHMIQZ-UHFFFAOYSA-N,C21H28N2O,324.5,324.2201635,5.3,23.6,326,0,0,3,8,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, (2-HYDROXY-4-METHOXYPHENYL)(2-HYDROXYPHENYL)-",000131-53-3,8569,(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O,"InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3",MEZZCSHVIGVWFI-UHFFFAOYSA-N,C14H12O4,244.24,244.0735589,3.3,66.8,292,0,2,4,3,18,,"338 to 347 °F at 1 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, BIS(2-HYDROXY-4-METHOXYPHENYL)-",000131-54-4,8570,bis(2-hydroxy-4-methoxyphenyl)methanone,COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O,"InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3",SODJJEXAWOSSON-UHFFFAOYSA-N,C15H14O5,274.27,274.0841235,3.3,76,302,0,2,5,4,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, (2-AMINO-5-CHLOROPHENYL)PHENYL-",000719-59-5,12870,(2-amino-5-chlorophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N,"InChI=1S/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2",ZUWXHHBROGLWNH-UHFFFAOYSA-N,C13H10ClNO,231.68,231.0450916,3.8,43.1,250,0,1,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, [5-CHLORO-2-(METHYLAMINO)PHENYL]PHENYL-",001022-13-5,13925,[5-chloro-2-(methylamino)phenyl]-phenylmethanone,CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2,"InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3",WPNMLCMTDCANOZ-UHFFFAOYSA-N,C14H12ClNO,245.7,245.0607417,4.4,29.1,263,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
[2-HYDROXY-4-(2-PROPENYLOXY)PHENYL]PHENYLMETHANONE,002549-87-3,75689,(2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone,C=CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,"InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2",GVZIBGFELWPEOC-UHFFFAOYSA-N,C16H14O3,254.28,254.0942943,4.3,46.5,307,0,1,3,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, [4-(DODECYLOXY)-2-HYDROXYPHENYL]PHENYL-",002985-59-3,76330,(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone,CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,"InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3",ARVUDIQYNJVQIW-UHFFFAOYSA-N,C25H34O3,382.5,382.2507949,9,46.5,403,0,1,3,14,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECAFLUOROBENZOPHENONE,000853-39-4,70068,"bis(2,3,4,5,6-pentafluorophenyl)methanone",C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F,InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17,WWQLXRAKBJVNCC-UHFFFAOYSA-N,C13F10O,362.12,361.9789462,4.3,17.1,406,0,0,11,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIHYDROXYBENZOPHENONE",000131-56-6,8572,"(2,4-dihydroxyphenyl)-phenylmethanone",C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H",ZXDDPOHVAMWLBH-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.2,57.5,246,0,2,3,2,16,,BP: 194 °C at 1 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-4-METHOXYBENZOPHENONE,000131-57-7,4632,(2-hydroxy-4-methoxyphenyl)-phenylmethanone,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3.6,46.5,258,0,1,3,3,17,100 °C (212 °F) - closed cup,"302 to 320 °F at 5 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-4-(OCTYLOXY)BENZOPHENONE,001843-05-6,15797,(2-hydroxy-4-octoxyphenyl)-phenylmethanone,CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,"InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3",QUAMTGJKVDWJEQ-UHFFFAOYSA-N,C21H26O3,326.4,326.1881947,6.8,46.5,349,0,1,3,10,24,,>300 °C decomposes,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-(2-HYDROXY-4-METHOXYBENZOYL)-",004756-45-0,20885,2-(2-hydroxy-4-methoxybenzoyl)benzoic acid,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O,"InChI=1S/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)",JLZIIHMTTRXXIN-UHFFFAOYSA-N,C15H12O5,272.25,272.0684735,3,83.8,367,0,2,5,4,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 4-BENZOYLPHENYL ESTER",022535-49-5,3015131,(4-benzoylphenyl) prop-2-enoate,C=CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2",LTYBJDPMCPTGEE-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,3.6,43.4,334,0,0,3,5,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
MICHLER'S KETONE,000090-94-8,7031,bis[4-(dimethylamino)phenyl]methanone,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,"InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3",VVBLNCFGVYUYGU-UHFFFAOYSA-N,C17H20N2O,268.35,268.1575633,3.9,23.6,281,0,0,3,4,20,220 °C,"greater than 680 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0
2-CHLORO-5-NITROBENZOPHENONE,034052-37-4,118591,(2-chloro-5-nitrophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl,InChI=1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,HRPHZUAPQWJPCZ-UHFFFAOYSA-N,C13H8ClNO3,261.66,261.0192708,3.7,62.9,323,0,0,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, (3,4-DIHYDROXYPHENYL)(2,4,6-TRIHYDROXYPHENYL)-",000519-34-6,68213,"(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone",C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O,"InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H",XNWPXDGRBWJIES-UHFFFAOYSA-N,C13H10O6,262.21,262.047738,2,118,321,0,5,6,2,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-(4-CHLOROBENZOYL)-, 2-[2-[(1-OXO-2-PROPENYL)OXY]ETHOXY]ETHYL E",082168-34-1,174256,2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate,C=CC(=O)OCCOCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C21H19ClO6/c1-2-19(23)27-13-11-26-12-14-28-21(25)18-6-4-3-5-17(18)20(24)15-7-9-16(22)10-8-15/h2-10H,1,11-14H2",KBWZQMFOIHPJGO-UHFFFAOYSA-N,C21H19ClO6,402.8,402.087016,4.1,78.9,541,0,0,6,12,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, (2-CHLOROPHENYL)(4-FLUOROPHENYL)-",001806-23-1,74547,(2-chlorophenyl)-(4-fluorophenyl)methanone,C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl,InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H,DODIKYQYCCFWRZ-UHFFFAOYSA-N,C13H8ClFO,234.65,234.0247707,3.8,17.1,248,0,0,2,2,16,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
BENZOPHENONE,000119-61-9,3102,diphenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.4,17.1,165,0,0,1,2,14,"greater than 270 °F (USCG, 1999)","582.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 1-methylethyl ester",049562-28-9,3339,propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",YMTINGFKWWXKFG-UHFFFAOYSA-N,C20H21ClO4,360.8,360.1128368,5.2,52.6,458,0,0,4,7,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"METHANONE, (4-CHLOROPHENYL)PHENYL-",000134-85-0,8653,(4-chlorophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,UGVRJVHOJNYEHR-UHFFFAOYSA-N,C13H9ClO,216.66,216.0341926,4.1,17.1,213,0,0,1,2,15,,332 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-",134308-13-7,4659569,"(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone",CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3",MIQPIUSUKVNLNT-UHFFFAOYSA-N,C14H11NO5,273.24,273.0637225,3.3,103,372,0,2,5,2,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-BENZOYL-, METHYL ESTER",000606-28-0,11816,methyl 2-benzoylbenzoate,COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2,"InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3",NQSMEZJWJJVYOI-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.7,43.4,305,0,0,3,4,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzophenone, 2,2'-dihydroxy-4-(octyloxy)-",85-24-5,6801,(2-hydroxy-4-octoxyphenyl)-(2-hydroxyphenyl)methanone,CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O,"InChI=1S/C21H26O4/c1-2-3-4-5-6-9-14-25-16-12-13-18(20(23)15-16)21(24)17-10-7-8-11-19(17)22/h7-8,10-13,15,22-23H,2-6,9,14H2,1H3",XRCGPZWJUXJKJF-UHFFFAOYSA-N,C21H26O4,342.4,342.1831093,6.5,66.8,384,0,2,4,10,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, o-(p-hydroxybenzoyl)-",85-57-4,6814,2-(4-hydroxybenzoyl)benzoic acid,C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O,"InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)",YGTUPRIZNBMOFV-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,2.1,74.6,318,0,2,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (4-methoxyphenyl)phenyl-",611-94-9,69146,(4-methoxyphenyl)-phenylmethanone,COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3",SWFHGTMLYIBPPA-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.4,26.3,223,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzophenone, 4,4'-dihydroxy-",611-99-4,69150,bis(4-hydroxyphenyl)methanone,C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O,"InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H",RXNYJUSEXLAVNQ-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,2.7,57.5,212,0,2,3,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-",1470-79-7,73852,"(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone",C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)O)O)O,"InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H",OKJFKPFBSPZTAH-UHFFFAOYSA-N,C13H10O4,230.22,230.0579088,2.6,77.8,271,0,3,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)-",1641-17-4,71645,(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone,CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O,"InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3",MJVGBKJNTFCUJM-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,4,46.5,281,0,1,3,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Methanone, (2-amino-5-nitrophenyl)phenyl-",1775-95-7,15681,(2-amino-5-nitrophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N,"InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2",PZPZDEIASIKHPY-UHFFFAOYSA-N,C13H10N2O3,242.23,242.0691422,3,88.9,321,0,1,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzophenone, 3-amino-",2835-78-1,17817,(3-aminophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N,"InChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2",FUADXEJBHCKVBN-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,2.6,43.1,221,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-chloro-",4016-85-7,77635,N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide,C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCl,"InChI=1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",HDXLZRWEZZFDKA-UHFFFAOYSA-N,C15H11Cl2NO2,308.2,307.016684,4.2,46.2,356,0,1,2,4,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzophenone, 2',5-dichloro-2-methylamino-",5621-86-3,21833,[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone,CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl,"InChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3",DQYHYPVCQHTLRO-UHFFFAOYSA-N,C14H11Cl2NO,280.1,279.0217694,5.1,29.1,298,0,1,2,3,18,,,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"Benzophenone, 2-chloro-4'-methyl-",5953-00-4,22237,(2-chlorophenyl)-(4-methylphenyl)methanone,CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl,"InChI=1S/C14H11ClO/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3",WIKUXHHNKRKVGJ-UHFFFAOYSA-N,C14H11ClO,230.69,230.0498427,4.1,17.1,243,0,0,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (m-benzoylphenyl)-",22071-22-3,30931,2-(3-benzoylphenyl)acetic acid,C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CC(=O)O,"InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)",ALDSXDRDRWDASQ-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,3,54.4,305,0,1,3,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Benzophenone, 4-methoxy-4'-methyl-",23886-71-7,32113,(4-methoxyphenyl)-(4-methylphenyl)methanone,CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC,"InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10H,1-2H3",IHMWJDNMIIEDDN-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,4,26.3,246,0,0,2,3,17,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)-",41295-28-7,38839,(4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone,CC1=CC(=CC=C1)C(=O)C2=CC(=C(C=C2)OC)C,"InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3",BWPYBAJTDILQPY-UHFFFAOYSA-N,C16H16O2,240.3,240.1150297,4,26.3,287,0,0,2,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-",42017-89-0,64929,2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid,CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N,C17H15ClO4,318.7,318.0658866,3.9,63.6,405,0,1,4,5,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, methyl ester",42019-07-8,3038933,methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C18H17ClO4/c1-18(2,17(21)22-3)23-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3",YNSXVMKCLCCCBA-UHFFFAOYSA-N,C18H17ClO4,332.8,332.0815367,4.4,52.6,419,0,0,4,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, ethyl ester",42019-08-9,3038934,ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3",WAROHEJQMZXNDT-UHFFFAOYSA-N,C19H19ClO4,346.8,346.0971868,4.7,52.6,433,0,0,4,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetonitrile, 3-benzoyl-alpha-methyl-",42872-30-0,39325,2-(3-benzoylphenyl)propanenitrile,CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3",RGYOCHMZSLUCNP-UHFFFAOYSA-N,C16H13NO,235.28,235.099714,3.3,40.9,334,0,0,2,3,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)-",52479-85-3,40399,"(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone",C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O,"InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H",XEDWWPGWIXPVRQ-UHFFFAOYSA-N,C13H10O7,278.21,278.0426527,1.7,138,349,0,6,7,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 2-(4-(dibutylamino)-2-hydroxybenzoyl)-",54574-82-2,1910825,2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid,CCCCN(CCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O,"InChI=1S/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)",QPNFUBAIQZJEPO-UHFFFAOYSA-N,C22H27NO4,369.5,369.1940083,5.6,77.8,473,0,2,5,10,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzophenone, 4-chloro-3-nitro-",56107-02-9,41743,(4-chloro-3-nitrophenyl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-],InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,YBDBYPQFIMSFJW-UHFFFAOYSA-N,C13H8ClNO3,261.66,261.0192708,3.6,62.9,323,0,0,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionamide, 2-(3-benzoylphenyl)-",59512-16-2,3042314,2-(3-benzoylphenyl)propanamide,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)N,"InChI=1S/C16H15NO2/c1-11(16(17)19)13-8-5-9-14(10-13)15(18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,17,19)",KLWMCJJRUWWDSW-UHFFFAOYSA-N,C16H15NO2,253.29,253.1102787,2.5,60.2,334,0,1,2,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzophenone, 3-ethyl-",66067-43-4,583730,(3-ethylphenyl)-phenylmethanone,CCC1=CC(=CC=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C15H14O/c1-2-12-7-6-10-14(11-12)15(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3",FVSYHKJWZIKKDM-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,4.1,17.1,228,0,0,1,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzophenone, 3-acetyl-",66067-44-5,2763076,1-(3-benzoylphenyl)ethanone,CC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C15H12O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10H,1H3",PPNGALBGZJBTRY-UHFFFAOYSA-N,C15H12O2,224.25,224.0837296,3.1,34.1,289,0,0,2,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzeneacetamide, 2-amino-3-benzoyl-",78281-72-8,151075,2-(2-amino-3-benzoylphenyl)acetamide,C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",QEFAQIPZVLVERP-UHFFFAOYSA-N,C15H14N2O2,254.28,254.1055277,1.9,86.2,337,0,2,3,4,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt",91714-93-1,23693301,sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate,C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].[Na+],"InChI=1S/C15H12BrNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7H,8,17H2,(H,18,19);/q;+1/p-1",HZFGMQJYAFHESD-UHFFFAOYSA-M,C15H11BrNNaO3,356.15,354.982,,83.2,372,0,1,4,4,21,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-",91714-94-2,60726,2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid,C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",ZBPLOVFIXSTCRZ-UHFFFAOYSA-N,C15H12BrNO3,334.16,333.00006,3.3,80.4,366,0,2,4,4,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"Methanone, (3-bromo-6-methoxy-2-methylphenyl)(2,3,4-trimethoxy-6-methylphenyl)-",220899-03-6,6451057,"(3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone",CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC,"InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3",AMSPWOYQQAWRRM-UHFFFAOYSA-N,C19H21BrO5,409.3,408.05724,4.6,54,446,0,0,5,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-, hexyl ester",302776-68-7,10111431,hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)C2=C(C=C(C=C2)N(CC)CC)O,"InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3",FDATWRLUYRHCJE-UHFFFAOYSA-N,C24H31NO4,397.5,397.2253085,6.5,66.8,505,0,1,5,12,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanamide, N-(2-benzoylphenyl)-",,852120,N-(2-benzoylphenyl)propanamide,CCC(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2,"InChI=1S/C16H15NO2/c1-2-15(18)17-14-11-7-6-10-13(14)16(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,18)",PDHKMQNJFRYJPV-UHFFFAOYSA-N,C16H15NO2,253.29,253.1102787,3.6,46.2,321,0,1,2,4,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(3-(p-hydroxybenzoyl)phenyl)-",,3031176,2-[3-(4-hydroxybenzoyl)phenyl]propanoic acid,CC(C1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O,"InChI=1S/C16H14O4/c1-10(16(19)20)12-3-2-4-13(9-12)15(18)11-5-7-14(17)8-6-11/h2-10,17H,1H3,(H,19,20)",LYEUJNWXWAUVAP-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,2.8,74.6,357,0,2,4,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"1,4-DIAMINOANTHRAQUINONE",000128-95-0,31420,"1,4-diaminoanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N,"InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2",FBMQNRKSAWNXBT-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,2.6,86.2,346,0,2,4,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
2-CHLOROANTHRAQUINONE,000131-09-9,8553,"2-chloroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Cl,InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,FPKCTSIVDAWGFA-UHFFFAOYSA-N,C14H7ClO2,242.65,242.0134572,4,34.1,352,0,0,2,0,17,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALIZARINE,000072-48-0,6293,"1,2-dihydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O,"InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H",RGCKGOZRHPZPFP-UHFFFAOYSA-N,C14H8O4,240.21,240.0422587,3.2,74.6,378,0,2,4,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM BLUE A,002861-02-1,72278,"disodium;4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate",C1=C(C2=C(C(=C1S(=O)(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)N.[Na+].[Na+],"InChI=1S/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",WSALIDVQXCHFEG-UHFFFAOYSA-L,C14H8N2Na2O10S2,474.3,473.9415754,,258,791,0,4,12,0,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
QUINALIZARIN,000081-61-8,5004,"1,2,5,8-tetrahydroxyanthracene-9,10-dione",C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O,"InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H",VBHKTXLEJZIDJF-UHFFFAOYSA-N,C14H8O6,272.21,272.032088,2.5,115,435,0,4,6,0,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-ANTHRACENEDICARBONITRILE, 1,4-DIAMINO-9,10-DIHYDRO-9,10-DIOXO-",000081-41-4,66477,"1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrile",C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C#N)N,"InChI=1S/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2",QUZJFTXRXJQLBH-UHFFFAOYSA-N,C16H8N4O2,288.26,288.0647255,2,134,558,0,2,6,0,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-DIAMINO-2,3-DICHLORO-",000081-42-5,65731,"1,4-diamino-2,3-dichloroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N,"InChI=1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2",KZYAYVSWIPZDKL-UHFFFAOYSA-N,C14H8Cl2N2O2,307.1,305.9962829,3.9,86.2,405,0,2,4,0,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-NITRO-",000082-34-8,6704,"1-nitroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-],InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,YCANAXVBJKNANM-UHFFFAOYSA-N,C14H7NO4,253.21,253.0375077,3.2,80,428,0,0,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-DIAMINO-2-METHOXY-",002872-48-2,17885,"1,4-diamino-2-methoxyanthracene-9,10-dione",COC1=C(C2=C(C(=C1)N)C(=O)C3=CC=CC=C3C2=O)N,"InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3",TUXJTJITXCHUEL-UHFFFAOYSA-N,C15H12N2O3,268.27,268.0847923,2.6,95.4,425,0,2,5,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,4-DIHYDROXY-5,8-BIS[(2-HYDROXYETHYL)AMINO]-",003179-90-6,18514,"1,4-dihydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione",C1=CC(=C2C(=C1NCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCO,"InChI=1S/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2",WHPNHQRWWMLKPJ-UHFFFAOYSA-N,C18H18N2O6,358.3,358.1164863,1.9,139,484,0,6,8,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-(CARBOXYMETHYL)-N-[(9,10-DIHYDRO-3,4-DIHYDROXY-9,10-DIOXO-2-ANTHRAC",003952-78-1,65132,"2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O,"InChI=1S/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)",PWIGYBONXWGOQE-UHFFFAOYSA-N,C19H15NO8,385.3,385.0797664,-0.5,152,648,0,4,9,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 2-PENTYL-",013936-21-5,26343,"2-pentylanthracene-9,10-dione",CCCCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3",UMWZLYTVXQBTTE-UHFFFAOYSA-N,C19H18O2,278.3,278.1306798,6,34.1,400,0,0,2,4,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1-ANTHRACENEDIAZONIUM, 9,10-DIHYDRO-9,10-DIOXO-",016048-40-1,27658,"9,10-dioxoanthracene-1-diazonium",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+]#N,InChI=1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1,AYWYBCRYWKVVBR-UHFFFAOYSA-N,C14H7N2O2+,235.22,235.0507525,4,62.3,436,1,0,3,0,18,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-BIS(BUTYLAMINO)-",017354-14-2,3766139,"1,4-bis(butylamino)anthracene-9,10-dione",CCCCNC1=C2C(=C(C=C1)NCCCC)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3",OCQDPIXQTSYZJL-UHFFFAOYSA-N,C22H26N2O2,350.5,350.1994281,6.4,58.2,449,0,2,4,8,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISPERSE BLUE 3,002475-46-9,17191,"1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione",CNC1=C2C(=C(C=C1)NCCO)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3",NLXFWUZKOOWWFD-UHFFFAOYSA-N,C17H16N2O3,296.32,296.1160924,3.3,78.4,440,0,3,5,4,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
1-AMINO-2-METHYLANTHRAQUINONE,000082-28-0,6702,"1-amino-2-methylanthracene-9,10-dione",CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,"InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3",ZLCUIOWQYBYEBG-UHFFFAOYSA-N,C15H11NO2,237.25,237.0789786,3.1,60.2,379,0,1,3,0,18,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 2-AMINO-3-CHLORO-",000084-46-8,344301,"2-amino-3-chloroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)N,"InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2",VMOJFUJVEWWUAV-UHFFFAOYSA-N,C14H8ClNO2,257.67,257.0243562,2.8,60.2,384,0,1,3,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINOANTHRAQUINONE,000082-45-1,6710,"1-aminoanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N,"InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2",KHUFHLFHOQVFGB-UHFFFAOYSA-N,C14H9NO2,223.23,223.0633285,3.2,60.2,352,0,1,3,0,17,,,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-DIOXOANTHRACINE-2,6-DISULPHONIC ACID",000084-50-4,66534,"9,10-dioxoanthracene-2,6-disulfonic acid",C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)O,"InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",MSSUFHMGCXOVBZ-UHFFFAOYSA-N,C14H8O8S2,368.3,367.9660596,0.4,160,692,0,2,8,2,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-DIHYDROXYANTHRAQUINONE",000117-12-4,8328,"1,5-dihydroxyanthracene-9,10-dione",C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H",JPICKYUTICNNNJ-UHFFFAOYSA-N,C14H8O4,240.21,240.0422587,3.7,74.6,342,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EMODIN,000518-82-1,3220,"1,3,8-trihydroxy-6-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",RHMXXJGYXNZAPX-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.7,94.8,434,0,3,5,0,20,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIHYDROXYANTHRAQUINONE",000081-64-1,6688,"1,4-dihydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O,"InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H",GUEIZVNYDFNHJU-UHFFFAOYSA-N,C14H8O4,240.21,240.0422587,3.7,74.6,342,0,2,4,0,18,222 °C,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALIZARIN RED S,000130-22-3,3955344,"sodium 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1",HFVAFDPGUJEFBQ-UHFFFAOYSA-M,C14H7NaO7S,342.26,341.981018,,140,599,0,2,7,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALOE-EMODINE,000481-72-1,10207,"1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione",C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",YDQWDHRMZQUTBA-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,1.8,94.8,420,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ANTHRAQUINONESULFONIC ACID, SODIUM SALT",000131-08-8,23661981,"sodium 9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1",GGCZERPQGJTIQP-UHFFFAOYSA-M,C14H7NaO5S,310.26,309.9911888,,99.7,538,0,0,5,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRAQUINONE-2,6-DISULFONIC ACID DISODIUM",000853-68-9,70070,"disodium;9,10-dioxoanthracene-2,6-disulfonate",C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",PKOVWEHDVFYKHL-UHFFFAOYSA-L,C14H6Na2O8S2,412.3,411.9299481,,165,665,0,0,8,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRAFLAVIC ACID,000084-60-6,6776,"2,6-dihydroxyanthracene-9,10-dione",C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O,"InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H",APAJFZPFBHMFQR-UHFFFAOYSA-N,C14H8O4,240.21,240.0422587,2.2,74.6,342,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SOLVENT BLUE 59,006994-46-3,81473,"1,4-bis(ethylamino)anthracene-9,10-dione",CCNC1=C2C(=C(C=C1)NCC)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3",JUUJTYPMICHIEM-UHFFFAOYSA-N,C18H18N2O2,294.3,294.1368278,4.7,58.2,397,0,2,4,4,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIAMINOANTHRAQUINONE",001758-68-5,15652,"1,2-diaminoanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N)N,"InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2",LRMDXTVKVHKWEK-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,2.1,86.2,382,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,5,8-TETRACHLORO-9,10-ANTHRACENEDIONE",000081-58-3,66484,"1,4,5,8-tetrachloroanthracene-9,10-dione",C1=CC(=C2C(=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)Cl,InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,DUJPMUKIEFLXRE-UHFFFAOYSA-N,C14H4Cl4O2,346,345.89359,5.4,34.1,365,0,0,2,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-DICHLOROANTHRAQUINONE",000082-43-9,6708,"1,8-dichloroanthracene-9,10-dione",C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl,InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H,VBQNYYXVDQUKIU-UHFFFAOYSA-N,C14H6Cl2O2,277.1,275.9744848,4.1,34.1,350,0,0,2,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIAMINOANTHRAQUINONE",000131-14-6,8557,"2,6-diaminoanthracene-9,10-dione",C1=CC2=C(C=C1N)C(=O)C3=C(C2=O)C=C(C=C3)N,"InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2",WQOWBWVMZPPPGX-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,1.5,86.2,346,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISODIUM 9,10-DIHYDRO-9,10-DIOXOANTHRACENE-1,5-DISULPHONATE",000853-35-0,70067,"disodium;9,10-dioxoanthracene-1,5-disulfonate",C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C14H8O8S2.2Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",OFASSSMJNCWWTP-UHFFFAOYSA-L,C14H6Na2O8S2,412.3,411.9299481,,165,665,0,0,8,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTHRAQUINONE-2,7-DISULFONIC ACID, DISODIUM SALT",000853-67-8,70069,"disodium;9,10-dioxoanthracene-2,7-disulfonate",C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",CSCLXYAAXMCWLG-UHFFFAOYSA-L,C14H6Na2O8S2,412.3,411.9299481,,165,669,0,0,8,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-DIHYDROXY-4,8-BIS(METHYLAMINO)-9,10-ANTHRACENEDIONE",003860-63-7,19729,"1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione",CNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)NC,"InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3",OKZNPGWYVNZKKZ-UHFFFAOYSA-N,C16H14N2O4,298.29,298.0953569,3.2,98.7,427,0,4,6,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,5-DIAMINOBROMO-4,8-DIHYDROXYANTHRAQUINONE",031810-89-6,33774,"1,5-diamino-2-bromo-4,8-dihydroxyanthracene-9,10-dione",C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N)O,"InChI=1S/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2",HZUBBVGKQQJUME-UHFFFAOYSA-N,C14H9BrN2O4,349.14,347.97457,2.6,127,474,0,4,6,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIHYDROXY-9,10-ANTHRACENEDIONE",000081-54-9,6683,"1,2,4-trihydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,"InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H",BBNQQADTFFCFGB-UHFFFAOYSA-N,C14H8O5,256.21,256.0371734,2.9,94.8,407,0,3,5,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISODIUM 1-AMINO-2,4-DIHYDROXY-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-3-SULPHONATE",006409-77-4,23677995,"sodium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1",IFSXZLJQEKGQAF-UHFFFAOYSA-M,C14H8NNaO7S,357.27,356.9919171,,166,634,0,3,8,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYL-9,10-ANTHRACENEDIONE",006531-35-7,81019,"2,3-dimethylanthracene-9,10-dione",CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3",KIJPZYXCIHZVGP-UHFFFAOYSA-N,C16H12O2,236.26,236.0837296,4.1,34.1,337,0,0,2,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHRYSOPHANOL,000481-74-3,10208,"1,8-dihydroxy-3-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,"InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",LQGUBLBATBMXHT-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.5,74.6,405,0,2,4,0,19,,Sublimes,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE",002832-30-6,76071,"1,4-dichloro-5,8-dihydroxyanthracene-9,10-dione",C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)O,"InChI=1S/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H",MEHLXACDLXEVBE-UHFFFAOYSA-N,C14H6Cl2O4,309.1,307.9643141,4.5,74.6,401,0,2,4,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DICHLOROANTHRAQUINONE",000602-25-5,4179424,"1,4-dichloroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl,InChI=1S/C14H6Cl2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,CAHGWVAXFJXDNI-UHFFFAOYSA-N,C14H6Cl2O2,277.1,275.9744848,4.1,34.1,346,0,0,2,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIPOTASSIUM 9,10-DIHYDRO-9,10-DIOXOANTHRACENE-1,8-DISULPHONATE",014938-42-2,26976,"dipotassium;9,10-dioxoanthracene-1,8-disulfonate",C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)[O-].[K+].[K+],"InChI=1S/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",PWPFDCNGQQSVJK-UHFFFAOYSA-L,C14H6K2O8S2,444.5,443.8778225,,165,669,0,0,8,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-AMINO-4-BROMO-2-METHYL-",000081-50-5,66480,"1-amino-4-bromo-2-methylanthracene-9,10-dione",CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)Br,"InChI=1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3",VIQMJMDPUIBXQO-UHFFFAOYSA-N,C15H10BrNO2,316.15,314.98949,3.8,60.2,411,0,1,3,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,8-DIHYDROXY-4,5-DINITRO-",000081-55-0,3378440,"1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione",C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O,"InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H",GJCHQJDEYFYWER-UHFFFAOYSA-N,C14H6N2O8,330.21,330.0124152,2.4,166,549,0,2,8,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-CHLORO-",000082-44-0,6709,"1-chloroanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl,InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,BOCJQSFSGAZAPQ-UHFFFAOYSA-N,C14H7ClO2,242.65,242.0134572,4,34.1,352,0,0,2,0,17,,Sublimes,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,8-DIAMINO-4,5-DIHYDROXY-",000128-94-9,31419,"1,8-diamino-4,5-dihydroxyanthracene-9,10-dione",C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)N)O,"InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)10-6(16)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15-16H2",SJHHHHHQWQOCDQ-UHFFFAOYSA-N,C14H10N2O4,270.24,270.0640568,1.9,127,405,0,4,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,5-DIAMINO-",000129-44-2,8513,"1,5-diaminoanthracene-9,10-dione",C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N,"InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2",VWBVCOPVKXNMMZ-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,2.6,86.2,346,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,5-DIAMINO-4,8-DIHYDROXY-",000145-49-3,67351,"1,5-diamino-4,8-dihydroxyanthracene-9,10-dione",C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)O)O,"InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2",HSYLKWSCFRLSKB-UHFFFAOYSA-N,C14H10N2O4,270.24,270.0640568,1.9,127,401,0,4,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-AMINO-4-(METHYLAMINO)-",001220-94-6,14650,"1-amino-4-(methylamino)anthracene-9,10-dione",CNC1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C15H12N2O2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3",ICVRBKCRXNVOJC-UHFFFAOYSA-N,C15H12N2O2,252.27,252.0898776,3.3,72.2,396,0,2,4,1,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 6,7-DICHLORO-1,4-DIHYDROXY-",001225-15-6,71042,"6,7-dichloro-1,4-dihydroxyanthracene-9,10-dione",C1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)O,"InChI=1S/C14H6Cl2O4/c15-7-3-5-6(4-8(7)16)14(20)12-10(18)2-1-9(17)11(12)13(5)19/h1-4,17-18H",GWFVWUQOSJGENT-UHFFFAOYSA-N,C14H6Cl2O4,309.1,307.9643141,4.5,74.6,401,0,2,4,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,4-BIS(METHYLAMINO)-",002475-44-7,17189,"1,4-bis(methylamino)anthracene-9,10-dione",CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3",QOSTVEDABRQTSU-UHFFFAOYSA-N,C16H14N2O2,266.29,266.1055277,3.9,58.2,371,0,2,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,4-BIS(PENTYLAMINO)-",002646-15-3,75847,"1,4-bis(pentylamino)anthracene-9,10-dione",CCCCCNC1=C2C(=C(C=C1)NCCCCC)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3",RHGBRYSELHPAFL-UHFFFAOYSA-N,C24H30N2O2,378.5,378.2307282,7.5,58.2,475,0,2,4,10,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-BROMO-9,10-DIHYDRO-9,10-DIOXO-, MONOSODIU",006258-06-6,5076555,"sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+],"InChI=1S/C14H8BrNO5S.Na/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,16H2,(H,19,20,21);/q;+1/p-1",TXMRAEGWZZVGIH-UHFFFAOYSA-M,C14H7BrNNaO5S,404.17,402.9126,,126,607,0,1,6,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-[(2-HYDROXYETHYL)AMINO]-4-[(3-HYDROXYPROPYL)AMINO]-",067674-26-4,105526,"1-(2-hydroxyethylamino)-4-(3-hydroxypropylamino)anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCCO,"InChI=1S/C19H20N2O4/c22-10-3-8-20-14-6-7-15(21-9-11-23)17-16(14)18(24)12-4-1-2-5-13(12)19(17)25/h1-2,4-7,20-23H,3,8-11H2",XWIBNOGPNKMAPE-UHFFFAOYSA-N,C19H20N2O4,340.4,340.1423071,2.9,98.7,484,0,4,6,7,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DISPERSE BLUE 1,002475-45-8,17190,"1,4,5,8-tetraaminoanthracene-9,10-dione",C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,"InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2",JSFUMBWFPQSADC-UHFFFAOYSA-N,C14H12N4O2,268.27,268.0960256,1.2,138,365,0,4,6,0,20,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,0
2-METHYLANTHRAQUINONE,000084-54-8,6773,"2-methylanthracene-9,10-dione",CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3",NJWGQARXZDRHCD-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,3.9,34.1,347,0,0,2,0,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-BROMO-9,10-DIHYDRO-9,10-DIOXO-",000116-81-4,22628,"1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br,"InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)",QZZSAWGVHXXMID-UHFFFAOYSA-N,C14H8BrNO5S,382.19,380.93066,2.2,123,601,0,2,6,1,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-2-BROMO-4-HYDROXY-",000116-82-5,8320,"1-amino-2-bromo-4-hydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N,"InChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2",MSSQDESMUMSQEN-UHFFFAOYSA-N,C14H8BrNO3,318.12,316.96876,3.6,80.4,413,0,2,4,0,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 2-HYDROXY-",000605-32-3,11796,"2-hydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O,"InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H",GCDBEYOJCZLKMC-UHFFFAOYSA-N,C14H8O3,224.21,224.0473441,3,54.4,349,0,1,3,0,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-6,7-DICHLORO-",005355-88-4,79314,"1-amino-6,7-dichloroanthracene-9,10-dione",C1=CC2=C(C(=C1)N)C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl,"InChI=1S/C14H7Cl2NO2/c15-9-4-7-8(5-10(9)16)14(19)12-6(13(7)18)2-1-3-11(12)17/h1-5H,17H2",YFEHGCGWUWOAFA-UHFFFAOYSA-N,C14H7Cl2NO2,292.1,290.9853839,4,60.2,414,0,1,3,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"1,5-DICHLORO-9,10-ANTHRACENEDIONE",000082-46-2,6711,"1,5-dichloroanthracene-9,10-dione",C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C(=CC=C3)Cl,InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,MQIUMARJCOGCIM-UHFFFAOYSA-N,C14H6Cl2O2,277.1,275.9744848,4.1,34.1,346,0,0,2,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,5-DINITRO-",000082-35-9,6705,"1,5-dinitroanthracene-9,10-dione",C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-],InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H,XVMVHWDCRFNPQR-UHFFFAOYSA-N,C14H6N2O6,298.21,298.0225859,2.5,126,488,0,0,6,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-",000083-62-5,66522,"1-amino-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)N,"InChI=1S/C14H9NO5S/c15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6H,15H2,(H,18,19,20)",PZSHANOBYYVNEX-UHFFFAOYSA-N,C14H9NO5S,303.29,303.0201436,1.5,123,566,0,2,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-5-CHLORO-",000117-11-3,8327,"1-amino-5-chloroanthracene-9,10-dione",C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)Cl,"InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2",QIHMGEKACAOTPE-UHFFFAOYSA-N,C14H8ClNO2,257.67,257.0243562,3.4,60.2,384,0,1,3,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-HYDROXYANTHRAQUINONE,000129-43-1,8512,"1-hydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,"InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H",BTLXPCBPYBNQNR-UHFFFAOYSA-N,C14H8O3,224.21,224.0473441,3.5,54.4,349,0,1,3,0,17,,Sublimes,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-AMINO-2,4-DIBROMOANTHRAQUINONE",000081-49-2,6681,"1-amino-2,4-dibromoanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,"InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2",ZINRVIQBCHAZMM-UHFFFAOYSA-N,C14H7Br2NO2,381.02,380.8823,4.1,60.2,414,0,1,3,0,19,"greater than 392 °F (NTP, 1992)",,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-DIMETHYL-",001519-36-4,73698,"1,4-dimethylanthracene-9,10-dione",CC1=C2C(=C(C=C1)C)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H12O2/c1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h3-8H,1-2H3",DVFAVJDEPNXAME-UHFFFAOYSA-N,C16H12O2,236.26,236.0837296,3.6,34.1,337,0,0,2,0,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0
MITOXANTRONE HYDROCHLORIDE,070476-82-3,51082,"1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride",C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl.Cl,"InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H",ZAHQPTJLOCWVPG-UHFFFAOYSA-N,C22H30Cl2N4O6,517.4,516.1542401,,163,571,0,10,10,12,34,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
ANTHRAQUINONE-2-CARBOXYLIC ACID,000117-78-2,67030,"9,10-dioxoanthracene-2-carboxylic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O,"InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)",ASDLSKCKYGVMAI-UHFFFAOYSA-N,C15H8O4,252.22,252.0422587,3,71.4,428,0,1,4,1,19,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-HYDROXY-",000116-85-8,8323,"1-amino-4-hydroxyanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N,"InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2",AQXYVFBSOOBBQV-UHFFFAOYSA-N,C14H9NO3,239.23,239.0582431,3.4,80.4,381,0,2,4,0,18,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
2-ETHYLANTHRAQUINONE,000084-51-5,6772,"2-ethylanthracene-9,10-dione",CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3",SJEBAWHUJDUKQK-UHFFFAOYSA-N,C16H12O2,236.26,236.0837296,4.4,34.1,360,0,0,2,1,18,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ANTHRAQUINONE,000084-65-1,6780,"anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,RZVHIXYEVGDQDX-UHFFFAOYSA-N,C14H8O2,208.21,208.0524295,3.4,34.1,261,0,0,2,0,16,"365 °F (NTP, 1992)","714 to 718 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINOANTHRAQUINONE,000117-79-3,8341,"2-aminoanthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,"InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2",XOGPDSATLSAZEK-UHFFFAOYSA-N,C14H9NO2,223.23,223.0633285,2.7,60.2,352,0,1,3,0,17,283 °C,"Sublimes (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-1-NITORANTHRAQUINONE,000129-15-7,31426,"2-methyl-1-nitroanthracene-9,10-dione",CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],"InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3",FYXKXZFTZBYYNP-UHFFFAOYSA-N,C15H9NO4,267.24,267.0531578,3.1,80,455,0,0,4,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MITOXANTRONE,065271-80-9,4212,"1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione",C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,444.5,444.2008846,1,163,571,0,8,10,12,32,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DIHYDROXYANTHRAQUINONE",000117-10-2,2950,"1,8-dihydroxyanthracene-9,10-dione",C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",QBPFLULOKWLNNW-UHFFFAOYSA-N,C14H8O4,240.21,240.0422587,3.2,74.6,346,0,2,4,0,18,,"Sublimes (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-TERT-BUTYLANTHRAQUINONE,000084-47-9,66532,"2-tert-butylanthracene-9,10-dione",CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3",YTPSFXZMJKMUJE-UHFFFAOYSA-N,C18H16O2,264.3,264.1150297,5.2,34.1,418,0,0,2,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(4-BROMO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)-N-METHYL-",006374-83-0,80770,"N-(4-bromo-9,10-dioxoanthracen-1-yl)-N-methylacetamide",CC(=O)N(C)C1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C17H12BrNO3/c1-9(20)19(2)13-8-7-12(18)14-15(13)17(22)11-6-4-3-5-10(11)16(14)21/h3-8H,1-2H3",CHXMYKHJNWOGGP-UHFFFAOYSA-N,C17H12BrNO3,358.2,357.00006,2.9,54.5,506,0,0,3,1,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,5-DIMETHOXY-",006448-90-4,22952,"1,5-dimethoxyanthracene-9,10-dione",COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OC,"InChI=1S/C16H12O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3",PEUAYWBFWSCPHA-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,2.8,52.6,367,0,0,4,2,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-BIS[(2-HYDROXYETHYL)AMINO]-",004471-41-4,20549,"1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCO,"InChI=1S/C18H18N2O4/c21-9-7-19-13-5-6-14(20-8-10-22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,19-22H,7-10H2",PAZPNGYXNBABCM-UHFFFAOYSA-N,C18H18N2O4,326.3,326.1266571,2.6,98.7,428,0,4,6,6,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-BIS[(3-HYDROXYPROPYL)AMINO]-",067701-36-4,105567,"1,4-bis(3-hydroxypropylamino)anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCO)NCCCO,"InChI=1S/C20H22N2O4/c23-11-3-9-21-15-7-8-16(22-10-4-12-24)18-17(15)19(25)13-5-1-2-6-14(13)20(18)26/h1-2,5-8,21-24H,3-4,9-12H2",LUYYUZYWBTWOFO-UHFFFAOYSA-N,C20H22N2O4,354.4,354.1579572,3.3,98.7,454,0,4,6,8,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-HYDROXY-2-(2-METHOXYETHOXY)-",017869-10-2,87342,"1-amino-4-hydroxy-2-(2-methoxyethoxy)anthracene-9,10-dione",COCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N,"InChI=1S/C17H15NO5/c1-22-6-7-23-12-8-11(19)13-14(15(12)18)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8,19H,6-7,18H2,1H3",DVCMHLZPRDGHKK-UHFFFAOYSA-N,C17H15NO5,313.3,313.0950226,2.8,98.9,468,0,2,6,4,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 1,3-dihydroxy-2-methyl-",117-02-2,124062,"1,3-dihydroxy-2-methylanthracene-9,10-dione",CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O,"InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3",IRZTUXPRIUZXMP-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.1,74.6,405,0,2,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Anthroic acid, 9,10-dihydro-1-nitro-9,10-dioxo-",128-67-6,31413,"1-nitro-9,10-dioxoanthracene-2-carboxylic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)[N+](=O)[O-],"InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)",PMOCDYOEOUEPAN-UHFFFAOYSA-N,C15H7NO6,297.22,297.0273369,2.2,117,539,0,1,6,1,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 2,8-dihydroxy-1-methoxy-3-methyl-",477-85-0,3083575,"2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O,"InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3",NYRXUBDGDSRBGB-UHFFFAOYSA-N,C16H12O5,284.26,284.0684735,3,83.8,448,0,2,5,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anthraquinone, 1,3-dihydroxy-2-hydroxymethyl-",478-08-0,10163,"1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O,"InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2",AMIDUPFSOUCLQB-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.4,94.8,420,0,3,5,1,20,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-",478-43-3,10168,"4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid",C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O,"InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",FCDLCPWAQCPTKC-UHFFFAOYSA-N,C15H8O6,284.22,284.032088,2.2,112,487,0,3,6,1,21,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthraquinone, 1,8-dihydroxy-3-methoxy-6-methyl-",521-61-9,10639,"1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC,"InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3",FFWOKTFYGVYKIR-UHFFFAOYSA-N,C16H12O5,284.26,284.0684735,3,83.8,448,0,2,5,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthraquinone, 1,8-dihydroxy-, diacetate",1963-82-2,16068,"(8-acetyloxy-9,10-dioxoanthracen-1-yl) acetate",CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3OC(=O)C,"InChI=1S/C18H12O6/c1-9(19)23-13-7-3-5-11-15(13)18(22)16-12(17(11)21)6-4-8-14(16)24-10(2)20/h3-8H,1-2H3",BDYRYAFJCKWMGQ-UHFFFAOYSA-N,C18H12O6,324.3,324.0633881,2.4,86.7,522,0,0,6,4,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-",6534-28-7,23032,"N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide",CC(=O)NC1=C2C(=C(C=C1)NC(=O)C)C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)",KPHHXNVVLVNAMV-UHFFFAOYSA-N,C18H14N2O4,322.3,322.0953569,2.3,92.3,523,0,2,4,2,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-",7460-43-7,96191,"3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione",CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O,"InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3",NTBUBTCXACOEEC-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,2.8,63.6,419,0,1,4,1,20,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, diacetate",13739-02-1,26248,"4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid",CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O,"InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",TYNLGDBUJLVSMA-UHFFFAOYSA-N,C19H12O8,368.3,368.0532173,1.9,124,683,0,1,8,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-Anthracenedione, 1,3,7-trihydroxy-2,8-dimethoxy-6-methyl-",67979-25-3,155011,"1,3,7-trihydroxy-2,8-dimethoxy-6-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O,"InChI=1S/C17H14O7/c1-6-4-7-11(17(24-3)12(6)19)14(21)10-8(13(7)20)5-9(18)16(23-2)15(10)22/h4-5,18-19,22H,1-3H3",RNXZPKOEJUFJON-UHFFFAOYSA-N,C17H14O7,330.29,330.0739528,2.7,113,521,0,3,7,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE OXIDE-D4,006552-57-4,138762,"2,2,3,3-tetradeuteriooxirane",[2H]C1(C(O1)([2H])[2H])[2H],"InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D2,2D2",IAYPIBMASNFSPL-LNLMKGTHSA-N,C2H4O,48.08,48.05132173,-0.1,12.5,10,0,0,1,0,3,,,0,0,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,1
ETHYLENE OXIDE,000075-21-8,6354,oxirane,C1CO1,InChI=1S/C2H4O/c1-2-3-1/h1-2H2,IAYPIBMASNFSPL-UHFFFAOYSA-N,C2H4O,44.05,44.02621475,-0.1,12.5,10,0,0,1,0,3,"-0.4 to 0 °F (EPA, 1998)","51.3 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
PROPYLENE OXIDE,000075-56-9,6378,2-methyloxirane,CC1CO1,"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",GOOHAUXETOMSMM-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,0,12.5,26,0,0,1,0,4,"-35 °F (EPA, 1998)","93.61 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,0,0,0,1
"(+/-)-1,2-PROPYLENE-D6 OXIDE (STABILIZED WITH HYDROQUINONE)",202468-69-7,16212941,"2,2,3-trideuterio-3-(trideuteriomethyl)oxirane",[2H]C1(C(O1)([2H])C([2H])([2H])[2H])[2H],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/i1D3,2D2,3D",GOOHAUXETOMSMM-LIDOUZCJSA-N,C3H6O,64.12,64.07952529,0,12.5,26,0,0,1,0,4,,,0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"OXIRANE, [(1,1-DIMETHYLETHOXY)METHYL]-",007665-72-7,24314,2-[(2-methylpropan-2-yl)oxymethyl]oxirane,CC(C)(C)OCC1CO1,"InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3",SFJRUJUEMVAZLM-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,0.8,21.8,93,0,0,2,3,9,"110 °F (NTP, 1992)","306 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,1,1,0,1,0,0,0,0,0,1,1,0,1
EPIFLUOROHYDRIN,000503-09-3,10418,2-(fluoromethyl)oxirane,C1C(O1)CF,"InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2",OIFAHDAXIUURLN-UHFFFAOYSA-N,C3H5FO,76.07,76.03244294,-0.2,12.5,37,0,0,2,1,5,"40 °F (NTP, 1992)","185 to 187 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-(TRIFLUOROMETHYL)OXIRANE,000359-41-1,520769,2-(trifluoromethyl)oxirane,C1C(O1)C(F)(F)F,"InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2",AQZRARFZZMGLHL-UHFFFAOYSA-N,C3H3F3O,112.05,112.0135992,1,12.5,76,0,0,4,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(R)-(+)-1,2-EPOXYHEPTANE",110549-07-0,11147691,(2R)-2-pentyloxirane,CCCCC[C@@H]1CO1,"InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m1/s1",NMOFYYYCFRVWBK-SSDOTTSWSA-N,C7H14O,114.19,114.1044651,2.5,12.5,61,0,0,1,4,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-EPOXY-2-METHYLPROPANE",000558-30-5,11208,"2,2-dimethyloxirane",CC1(CO1)C,"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",GELKGHVAFRCJNA-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.5,12.5,47,0,0,1,0,5,,,0,0,0,0,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"3,4-Epoxy-1-butene",000930-22-3,13586,2-ethenyloxirane,C=CC1CO1,"InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2",GXBYFVGCMPJVJX-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.5,12.5,49,0,0,1,1,5,"-50 °F (NTP, 1992)","149 to 151 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-2-VINYLOXIRANE,001838-94-4,92166,2-ethenyl-2-methyloxirane,CC1(CO1)C=C,"InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3",FVCDMHWSPLRYAB-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.7,12.5,78,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, (METHOXYMETHYL)-",000930-37-0,13589,2-(methoxymethyl)oxirane,COCC1CO1,"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3",LKMJVFRMDSNFRT-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.2,21.8,44,0,0,2,2,6,"less than 69 °F (NTP, 1992)",,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLOXIRANE",003266-23-7,18632,"2,3-dimethyloxirane",CC1C(O1)C,"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3",PQXKWPLDPFFDJP-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.7,12.5,36,0,0,1,0,5,"0 °F (NTP, 1992)",,0,1,0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, TETRAMETHYL-",005076-20-0,21159,"2,2,3,3-tetramethyloxirane",CC1(C(O1)(C)C)C,"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3",SYQIWVMFOAHDMK-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.1,12.5,80,0,0,1,0,7,,"194 to 201 °F at 745 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-EPOXYHEXANE",001436-34-6,15036,2-butyloxirane,CCCCC1CO1,"InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3",WHNBDXQTMPYBAT-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.9,12.5,52,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, PROPYL-",001003-14-1,13853,2-propyloxirane,CCCC1CO1,"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3",SYURNNNQIFDVCA-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.4,12.5,43,0,0,1,2,6,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-BUTYLENE OXIDE",000106-88-7,7834,2-ethyloxirane,CCC1CO1,"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3",RBACIKXCRWGCBB-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.8,12.5,34,0,0,1,1,5,"10 °F (NTP, 1992)","145 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ALLYL GLYCIDYL ETHER,000106-92-3,7838,2-(prop-2-enoxymethyl)oxirane,C=CCOCC1CO1,"InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2",LSWYGACWGAICNM-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.4,21.8,80,0,0,2,4,8,"135 °F (NTP, 1992)","309 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,0,1
(R)-(-)-EPICHLOROHYDRIN,051594-55-9,2734062,(2R)-2-(chloromethyl)oxirane,C1[C@@H](O1)CCl,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1",BRLQWZUYTZBJKN-VKHMYHEASA-N,C3H5ClO,92.52,92.0028925,0.5,12.5,37,0,0,1,1,5,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0
EPICHLOROHYDRIN-D5,069533-54-6,16213567,"2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane",[2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H],"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i1D2,2D2,3D",BRLQWZUYTZBJKN-UXXIZXEISA-N,C3H5ClO,97.55,97.0342762,0.5,12.5,37,0,0,1,1,5,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"GLYCIDYL 1,1,2,2-TETRAFLUOROETHYL ETHER",085567-21-1,2776649,"2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane",C1C(O1)COC(C(F)F)(F)F,"InChI=1S/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2",HFNPKDDYCOMYLN-UHFFFAOYSA-N,C5H6F4O2,174.09,174.0303921,1.4,21.8,138,0,0,6,4,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
EPIBROMOHYDRIN,003132-64-7,18430,2-(bromomethyl)oxirane,C1C(O1)CBr,"InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2",GKIPXFAANLTWBM-UHFFFAOYSA-N,C3H5BrO,136.98,135.95238,0.8,12.5,37,0,0,1,1,5,"133 °F (NTP, 1992)","273 to 277 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-EPOXYOCTANE",002984-50-1,18126,2-hexyloxirane,CCCCCCC1CO1,"InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3",NJWSNNWLBMSXQR-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,3,12.5,71,0,0,1,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(R)-(+)-1,2-EPOXYOCTANE",077495-66-0,1620686,(2R)-2-hexyloxirane,CCCCCC[C@@H]1CO1,"InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3/t8-/m1/s1",NJWSNNWLBMSXQR-MRVPVSSYSA-N,C8H16O,128.21,128.1201151,3,12.5,71,0,0,1,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,2-epoxy-3,3,3-trichloro-",003083-23-6,18321,2-(trichloromethyl)oxirane,C1C(O1)C(Cl)(Cl)Cl,"InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2",VFEXYZINKMLLAK-UHFFFAOYSA-N,C3H3Cl3O,161.41,159.924948,1.8,12.5,76,0,0,1,0,7,"152 °F (NTP, 1992)","300 °F at 764 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"OXIRANE, (ETHOXYMETHYL)-",004016-11-9,19919,2-(ethoxymethyl)oxirane,CCOCC1CO1,"InChI=1S/C5H10O2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3",HQCSZRIVJVOYSU-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.1,21.8,54,0,0,2,3,7,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
N-BUTYL GLYCIDYL ETHER,002426-08-6,17049,2-(butoxymethyl)oxirane,CCCCOCC1CO1,"InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3",YSUQLAYJZDEMOT-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1,21.8,73,0,0,2,5,9,"130 °F (NTP, 1992)","327 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,1,0,1,0,1,0,0,0,0,0,0,1,0,1
ISOPROPYL GLYCIDYL ETHER,004016-14-2,19920,2-(propan-2-yloxymethyl)oxirane,CC(C)OCC1CO1,"InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3",NWLUZGJDEZBBRH-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.6,21.8,70,0,0,2,3,8,"92 °F (NTP, 1992)","261 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
EPICHLOROHYDRIN,000106-89-8,7835,2-(chloromethyl)oxirane,C1C(O1)CCl,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2",BRLQWZUYTZBJKN-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,0.5,12.5,37,0,0,1,1,5,"93 °F (EPA, 1998)","241.7 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0
TRIFLUORO(TRIFLUOROMETHYL)OXIRANE,000428-59-1,9883,"2,2,3-trifluoro-3-(trifluoromethyl)oxirane",C1(C(O1)(F)F)(C(F)(F)F)F,"InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1",PGFXOWRDDHCDTE-UHFFFAOYSA-N,C3F6O,166.02,165.9853336,2.1,12.5,161,0,0,7,0,10,,"-18 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
GLYCIDYL ACRYLATE,000106-90-1,7836,oxiran-2-ylmethyl prop-2-enoate,C=CC(=O)OCC1CO1,"InChI=1S/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2",RPQRDASANLAFCM-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,0.4,38.8,130,0,0,3,4,9,"141 °F (NTP, 1992)","135 °F at 2 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
GLYCIDYLTRIMETHYLAMMONIUM CHLORIDE,003033-77-0,18205,trimethyl(oxiran-2-ylmethyl)azanium chloride,C[N+](C)(C)CC1CO1.[Cl-],"InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1",PUVAFTRIIUSGLK-UHFFFAOYSA-M,C6H14ClNO,151.63,151.0763918,,12.5,85,0,0,2,2,9,,,0,1,0,1,0,1,1,1,0,0,1,0,0,1,0,0,0,1,1,0
"DISODIUM (1R,2S)-(1,2-EPOXYPROPYL)PHOSPHONATE",026016-99-9,73491,"disodium;[(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-lambda5-phosphane",C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/t2-,3+;;/m0../s1",QZIQJIKUVJMTDG-JSTPYPERSA-L,C3H5Na2O4P,182.02,181.9720842,,75.7,127,0,0,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
(S)-GLYCIDOL,060456-23-7,6973630,[(2S)-oxiran-2-yl]methanol,C1[C@@H](O1)CO,"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1",CTKINSOISVBQLD-VKHMYHEASA-N,C3H6O2,74.08,74.03677943,-0.9,32.8,35,0,1,2,1,5,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2,2,3,3,-TETRAFLUOROPROPYL GLYCIDYL ETHER",019932-26-4,89247,"2-(2,2,3,3-tetrafluoropropoxymethyl)oxirane",C1C(O1)COCC(C(F)F)(F)F,"InChI=1S/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2",DATKALAKXGFGPI-UHFFFAOYSA-N,C6H8F4O2,188.12,188.0460421,1.3,21.8,150,0,0,6,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GAMMA-GLYCIDOXYPROPYLTRIETHOXYSILANE,002602-34-8,102856,triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane,CCO[Si](CCCOCC1CO1)(OCC)OCC,"InChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3",JXUKBNICSRJFAP-UHFFFAOYSA-N,C12H26O5Si,278.42,278.1549505,,49.5,198,0,0,5,12,18,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-EPOXY-4-OXO-7,10-DODECADIENAMIDE",017397-89-6,5282054,"(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide",C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N,"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1",GVEZIHKRYBHEFX-NQQPLRFYSA-N,C12H17NO3,223.27,223.1208434,0.8,72.7,320,0,1,3,7,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL N-(2-OXIRANYLMETHYL)CARBAMATE,115198-80-6,11062891,tert-butyl N-(oxiran-2-ylmethyl)carbamate,CC(C)(C)OC(=O)NCC1CO1,"InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)",ZBBGKXNNTNBRBH-UHFFFAOYSA-N,C8H15NO3,173.21,173.1051933,0.6,50.9,174,0,1,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMOTHIOIC ACID, DIPROPYL-, S-PROPYL ESTER",001929-77-7,25246088,(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate,CCCCCC1C(O1)C/C=C\CCCCCCCC(=O)[O-],"InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/p-1/b11-8-",CCPPLLJZDQAOHD-FLIBITNWSA-M,C18H31O3-,295.4,295.2273199,6.2,52.7,293,-1,0,3,13,21,252 °F 0C /TECHNICAL/,149-150 °C at 30 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
,038565-52-5,170073,"2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane",C1C(O1)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H5F13O/c10-4(11,1-3-2-23-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1-2H2",KGYUZRBIQCDOCN-UHFFFAOYSA-N,C9H5F13O,376.11,376.0132809,4.7,12.5,451,0,0,14,6,23,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYCIDOL,000556-52-5,11164,oxiran-2-ylmethanol,C1C(O1)CO,"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2",CTKINSOISVBQLD-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,-0.9,32.8,35,0,1,2,1,5,"162 °F (NTP, 1992)","333 °F at 760 mmHg (with decomposition) (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
GLYCIDYL METHACRYLATE,000106-91-2,7837,oxiran-2-ylmethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1CO1,"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3",VOZRXNHHFUQHIL-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.8,38.8,162,0,0,3,4,10,"181 °F (NTP, 1992)","372 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,1,1,1
Glycidamide-,005694-00-8,91550,oxirane-2-carboxamide,C1C(O1)C(=O)N,"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)",FMAZQSYXRGRESX-UHFFFAOYSA-N,C3H5NO2,87.08,87.0320284,-1.2,55.6,80,0,1,2,1,6,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
3-(DIMETHYLETHOXYSILYL)PROPYL GLYCIDYL ETHER,017963-04-1,62719,ethoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane,CCO[Si](C)(C)CCCOCC1CO1,"InChI=1S/C10H22O3Si/c1-4-13-14(2,3)7-5-6-11-8-10-9-12-10/h10H,4-9H2,1-3H3",HHBOIIOOTUCYQD-UHFFFAOYSA-N,C10H22O3Si,218.36,218.1338211,,31,161,0,0,3,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCT-7-ENYLOXIRANE,085721-25-1,543758,2-oct-7-enyloxirane,C=CCCCCCCC1CO1,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2",FCZHJHKCOZGQJZ-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3.4,12.5,109,0,0,1,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, [(DODECYLOXY)METHYL]-",002461-18-9,17163,2-(dodecoxymethyl)oxirane,CCCCCCCCCCCCOCC1CO1,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3",VMSIYTPWZLSMOH-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.4,21.8,159,0,0,2,13,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"OXIRANEPROPANOL, .ALPHA.-ETHENYL-.ALPHA.,3,3-TRIMETHYL-, ACETATE",041610-76-8,162476,"[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate",CC(=O)OC(C)(CCC1C(O1)(C)C)C=C,"InChI=1S/C12H20O3/c1-6-12(5,14-9(2)13)8-7-10-11(3,4)15-10/h6,10H,1,7-8H2,2-5H3",SVXOLLYBCSDBKK-UHFFFAOYSA-N,C12H20O3,212.28,212.1412445,2,38.8,270,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
3-GLYCIDOXYPROPYLMETHYLDIETHOXYSILANE,002897-60-1,62467,diethoxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane,CCO[Si](C)(CCCOCC1CO1)OCC,"InChI=1S/C11H24O4Si/c1-4-14-16(3,15-5-2)8-6-7-12-9-11-10-13-11/h11H,4-10H2,1-3H3",OTARVPUIYXHRRB-UHFFFAOYSA-N,C11H24O4Si,248.39,248.1443858,,40.2,183,0,0,4,10,16,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,1
DODECYLOXIRANE,003234-28-4,18604,2-dodecyloxirane,CCCCCCCCCCCCC1CO1,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3",IOHJQSFEAYDZGF-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,6.3,12.5,133,0,0,1,11,15,"greater than 235 °F (NTP, 1992)","203 to 205 °F at 0.4 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCIDYL 2,2,3,3,4,4,5,5-OCTAFLUOROPENTYL ETHER",019932-27-5,2775886,"2-(2,2,3,3,4,4,5,5-octafluoropentoxymethyl)oxirane",C1C(O1)COCC(C(C(C(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H8F8O2/c9-5(10)7(13,14)8(15,16)6(11,12)3-17-1-4-2-18-4/h4-5H,1-3H2",NABHRPSATHTFNS-UHFFFAOYSA-N,C8H8F8O2,288.13,288.0396548,2.6,21.8,293,0,0,10,7,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-EPOXYDODECANE",002855-19-8,17858,2-decyloxirane,CCCCCCCCCCC1CO1,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3",MPGABYXKKCLIRW-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,5.2,12.5,112,0,0,1,9,13,"112 °F (NTP, 1992)","255 to 257 °F at 15 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLHEXYL GLYCIDYL ETHER,002461-15-6,17162,2-(2-ethylhexoxymethyl)oxirane,CCCCC(CC)COCC1CO1,"InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3",BBBUAWSVILPJLL-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,2.9,21.8,125,0,0,2,8,13,"206 °F (NTP, 1992)","244 to 248 °F at 20 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"OXIRANECARBOXYLIC ACID, 3-(((3-METHYL-1-(((3-METHYLBUTYL)AMINO)CARBONYL)BUTYL)",088321-09-9,65663,"ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate",CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,"InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1",SRVFFFJZQVENJC-IHRRRGAJSA-N,C17H30N2O5,342.4,342.2154721,2.3,97,450,0,2,5,11,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
,002404-44-6,16993,2-octyloxirane,CCCCCCCCC1CO1,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3",AAMHBRRZYSORSH-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,4.1,12.5,90,0,0,1,7,11,"173 °F (NTP, 1992)","234 to 235 °F at 35 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, TETRADECYL-",007320-37-8,23741,2-tetradecyloxirane,CCCCCCCCCCCCCCC1CO1,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3",DSZTYVZOIUIIGA-UHFFFAOYSA-N,C16H32O,240.42,240.2453156,7.3,12.5,156,0,0,1,13,17,,"518 to 527 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
,007390-81-0,23872,2-hexadecyloxirane,CCCCCCCCCCCCCCCCC1CO1,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3",QBJWYMFTMJFGOL-UHFFFAOYSA-N,C18H36O,268.5,268.2766158,8.4,12.5,179,0,0,1,15,19,,"279 °F at 0.5 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-[BIS(TRIMETHYLSILOXY)METHYL]PROPYL GLYCIDYL ETHER,007422-52-8,62635,trimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilane,C[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C,"InChI=1S/C13H32O4Si3/c1-18(2,3)16-20(7,17-19(4,5)6)10-8-9-14-11-13-12-15-13/h13H,8-12H2,1-7H3",YSIQPJVFCSCUMU-UHFFFAOYSA-N,C13H32O4Si3,336.65,336.1608391,,40.2,283,0,0,4,10,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECYL GLYCIDYL ETHER,015965-99-8,61823,2-(hexadecoxymethyl)oxirane,CCCCCCCCCCCCCCCCOCC1CO1,"InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19-18-21-19/h19H,2-18H2,1H3",YZUMRMCHAJVDRT-UHFFFAOYSA-N,C19H38O2,298.5,298.2871805,7.5,21.8,206,0,0,2,17,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, TRIDECYL-",018633-25-5,86768,2-tridecyloxirane,CCCCCCCCCCCCCC1CO1,"InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3",QMIBIXKZPBEGTE-UHFFFAOYSA-N,C15H30O,226.4,226.2296656,6.8,12.5,144,0,0,1,12,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, PENTADECYL-",022092-38-2,89596,2-pentadecyloxirane,CCCCCCCCCCCCCCCC1CO1,"InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3",XSNXNMMWBCZUSS-UHFFFAOYSA-N,C17H34O,254.5,254.2609657,7.9,12.5,167,0,0,1,14,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Phosphonic acid, (1,2-epoxypropyl)-, calcium salt (1:1), (1R,2S)-(-)-",026016-98-8,93095,"calcium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-lambda5-phosphane",C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Ca+2],"InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1",YMZJBJPWTXJQMR-LJUKVTEVSA-L,C3H5CaO4P,176.12,175.9551365,,75.7,127,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXIRANE, 2-DECYL-3-(5-METHYLHEXYL)-, CIS-",029804-22-6,62850,"(2R,3S)-2-decyl-3-(5-methylhexyl)oxirane",CCCCCCCCCC[C@@H]1[C@@H](O1)CCCCC(C)C,"InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1",HFOFYNMWYRXIBP-MOPGFXCFSA-N,C19H38O,282.5,282.2922658,8.2,12.5,212,0,0,1,14,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, [HYDROXYACETATO(2-)-O1,O2](ISOOCTADECANOATO-O)[11-[3-(2-PENTENYL)OXI",068739-04-8,6437660,2-hydroxyacetic acid;16-methylheptadecanoic acid;(E)-11-[3-[(E)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid;titanium,CC/C=C/CC1C(O1)C/C=C/CCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.C(C(=O)O)O.[Ti],"InChI=1S/C18H30O3.C18H36O2.C2H4O3.Ti/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20;1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;3-1-2(4)5;/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20);17H,3-16H2,1-2H3,(H,19,20);3H,1H2,(H,4,5);/b10-3+,11-8+;;;",SZXIDYBIFOXVAS-WMVPAJJCSA-N,C38H70O8Ti,702.8,702.4550099,,145,769,0,4,8,28,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxiranecarboxylic acid, 2-tetradecyl-, methyl ester",069207-52-9,68593,methyl 2-tetradecyloxirane-2-carboxylate,CCCCCCCCCCCCCCC1(CO1)C(=O)OC,"InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3",RSSDZUNGAWCFPT-UHFFFAOYSA-N,C18H34O3,298.5,298.2507949,6.8,38.8,278,0,0,3,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENOIC ACID (Z)-, OXIRANYLMETHYL ESTER",005431-334,5354568,oxiran-2-ylmethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-",VWYIWOYBERNXLX-KTKRTIGZSA-N,C21H38O3,338.5,338.2820951,7.3,38.8,325,0,0,3,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-GLYCIDYL-O'-METHYLPOLYETHYLENE GLYCOL 5' 000,040349-67-5,234734,2-(2-methoxyethoxymethyl)oxirane,COCCOCC1CO1,"InChI=1S/C6H12O3/c1-7-2-3-8-4-6-5-9-6/h6H,2-5H2,1H3",KQXZMAACKJIRJE-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.4,31,74,0,0,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-EPOXYPROPYL NEODECANOATE",026761-45-5,33600,"oxiran-2-ylmethyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OCC1CO1,"InChI=1S/C13H24O3/c1-4-5-6-7-8-13(2,3)12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3",QQWAKSKPSOFJFF-UHFFFAOYSA-N,C13H24O3,228.33,228.1725446,3.7,38.8,223,0,0,3,9,16,"265 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"OXIRANE, 2,2-DIMETHYL-3-(3-METHYL-2,4-PENTADIENYL)-",069103-20-4,94648,"2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane",CC(=CCC1C(O1)(C)C)C=C,"InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3",LIMXJCIGROLRED-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.9,12.5,189,0,0,1,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
GAMMA-GLYCIDOXYPROPYLTRIMETHOXYSILANE,002530-83-8,17317,trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane,CO[Si](CCCOCC1CO1)(OC)OC,"InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3",BPSIOYPQMFLKFR-UHFFFAOYSA-N,C9H20O5Si,236.34,236.1080003,,49.5,166,0,0,5,9,15,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
GLYCIDALDEHYDE,000765-34-4,13002,oxirane-2-carbaldehyde,C1C(O1)C=O,"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2",IWYRWIUNAVNFPE-UHFFFAOYSA-N,C3H4O2,72.06,72.02112937,-0.6,29.6,50,0,0,2,1,5,88 °F (OPEN CUP),112.5 °C,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIOL PROTEASE INHIBITOR,066701-25-5,123985,"(2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid",CC(C)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)[C@@H]1[C@H](O1)C(=O)O,"InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1",LTLYEAJONXGNFG-DCAQKATOSA-N,C15H27N5O5,357.41,357.201219,-0.9,172,518,0,5,6,11,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Oxirane, (1-methylethyl)-",1438-14-8,102618,2-propan-2-yloxirane,CC(C)C1CO1,"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3",REYZXWIIUPKFTI-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.2,12.5,49,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Butane, 2,3-epoxy-, cis-",1758-33-4,92162,"(2S,3R)-2,3-dimethyloxirane",C[C@@H]1[C@@H](O1)C,"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+",PQXKWPLDPFFDJP-ZXZARUISSA-N,C4H8O,72.11,72.05751487,0.7,12.5,36,0,0,1,0,5,,,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"Butane, 1,4-dichloro-2,3-epoxy-",3583-47-9,19160,"2,3-bis(chloromethyl)oxirane",C(C1C(O1)CCl)Cl,"InChI=1S/C4H6Cl2O/c5-1-3-4(2-6)7-3/h3-4H,1-2H2",VUSYFNXNYLAECV-UHFFFAOYSA-N,C4H6Cl2O,140.99,139.9795702,1.2,12.5,58,0,0,1,2,7,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,1
"Butane, 2,3-epoxy-2-methyl-",5076-19-7,21158,"2,2,3-trimethyloxirane",CC1C(O1)(C)C,"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3",QPBYBLZYMNWGMO-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.9,12.5,66,0,0,1,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Butyronitrile, 3,4-epoxy-",8/6/09,23010,2-(oxiran-2-yl)acetonitrile,C1C(O1)CC#N,"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2",PITLRSDLRTWZGP-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,-0.4,36.3,91,0,0,2,1,6,,,0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
Alseroxylon,8001-95-4,62816,"N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-(chloromethyl)oxirane",C1C(O1)CCl.C(CNCCNCCNCCN)N,"InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2",GMRWGQCZJGVHKL-UHFFFAOYSA-N,C11H28ClN5O,281.83,281.1982382,,101,116,0,5,6,11,18,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-Hexene, 5,6-epoxy-",10353-53-4,66314,2-but-3-enyloxirane,C=CCCC1CO1,"InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2",MUUOUUYKIVSIAR-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.4,12.5,68,0,0,1,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Propylene oxide, (R)-(+)-",15448-47-2,146261,(2R)-2-methyloxirane,C[C@@H]1CO1,"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1",GOOHAUXETOMSMM-GSVOUGTGSA-N,C3H6O,58.08,58.04186481,0,12.5,26,0,0,1,0,4,,,0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"Propylene oxide, (S)-(-)-",16088-62-3,146262,(2S)-2-methyloxirane,C[C@H]1CO1,"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",GOOHAUXETOMSMM-VKHMYHEASA-N,C3H6O,58.08,58.04186481,0,12.5,26,0,0,1,0,4,,,0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,0,0,0,1
"Oxirane, 5-hexenyl-",19600-63-6,29678,2-hex-5-enyloxirane,C=CCCCCC1CO1,"InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2",UKTHULMXFLCNAV-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2.5,12.5,88,0,0,1,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2,3-epoxy-, ethyl ester",19780-35-9,29774,ethyl 3-methyloxirane-2-carboxylate,CCOC(=O)C1C(O1)C,"InChI=1S/C6H10O3/c1-3-8-6(7)5-4(2)9-5/h4-5H,3H2,1-2H3",VYXHEFOZRVPJRK-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.6,38.8,121,0,0,3,3,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Butane, 2,3-epoxy-, trans-",21490-63-1,30664,"(2S,3S)-2,3-dimethyloxirane",C[C@H]1[C@@H](O1)C,"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4-/m0/s1",PQXKWPLDPFFDJP-IMJSIDKUSA-N,C4H8O,72.11,72.05751487,0.7,12.5,36,0,0,1,0,5,,,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"Propane, 1,2-epoxy-1-methoxy-2-methyl-",26196-04-3,93099,"3-methoxy-2,2-dimethyloxirane",CC1(C(O1)OC)C,"InChI=1S/C5H10O2/c1-5(2)4(6-3)7-5/h4H,1-3H3",FPKWGRVMLLIFSY-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.5,21.8,78,0,0,2,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, (R)-",57044-25-4,5460455,[(2R)-oxiran-2-yl]methanol,C1[C@H](O1)CO,"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1",CTKINSOISVBQLD-GSVOUGTGSA-N,C3H6O2,74.08,74.03677943,-0.9,32.8,35,0,1,2,1,5,,,0,1,1,1,0,1,0,0,0,0,1,0,1,1,0,1,1,0,0,0
"Oxirane, (chloromethyl)-, (S)-",67843-74-7,149428,(2S)-2-(chloromethyl)oxirane,C1[C@H](O1)CCl,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1",BRLQWZUYTZBJKN-GSVOUGTGSA-N,C3H5ClO,92.52,92.0028925,0.5,12.5,37,0,0,1,1,5,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"Glycidic acid, 3-sec-butyl-3-methyl-, methyl ester",72569-66-5,51621,methyl 3-butan-2-yl-3-methyloxirane-2-carboxylate,CCC(C)C1(C(O1)C(=O)OC)C,"InChI=1S/C9H16O3/c1-5-6(2)9(3)7(12-9)8(10)11-4/h6-7H,5H2,1-4H3",YXFJXZHEINXRQW-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.7,38.8,190,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)",78964-85-9,10199068,"2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid",C[C@H]1[C@H](O1)P(=O)(O)O.C(C(CO)(CO)N)O,"InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1",QZJIMDIBFFHQDW-LMLSDSMGSA-N,C7H18NO7P,259.19,259.0820889,,157,192,0,6,8,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"5,8,11-Tridecatrienoic acid, 13-(3-pentyloxiranyl)-",81276-03-1,1431,"13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid",CCCCCC1C(O1)CC=CCC=CCC=CCCCC(=O)O,"InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)",JBSCUHKPLGKXKH-UHFFFAOYSA-N,C20H32O3,320.5,320.2351449,5.3,49.8,396,0,1,3,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxiranecarboxylic acid, 2,3-dimethyl-, (3aR,4R,6E,10E,11aR)-6-(acetoxymethyl)-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester",,94158,oxirane-2-carboxylic acid,C1C(O1)C(=O)O,"InChI=1S/C3H4O3/c4-3(5)2-1-6-2/h2H,1H2,(H,4,5)",OTGHWLKHGCENJV-UHFFFAOYSA-N,C3H4O3,88.06,88.01604399,-0.5,49.8,78,0,1,3,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, 1-METHYL-1-PHENYL-, SULFATE (2:1)",000618-26-8,53487891,bis(1-methyl-1-phenylhydrazine);sulfuric acid,CN(C1=CC=CC=C1)N.CN(C1=CC=CC=C1)N.OS(=O)(=O)O,"InChI=1S/2C7H10N2.H2O4S/c2*1-9(8)7-5-3-2-4-6-7;1-5(2,3)4/h2*2-6H,8H2,1H3;(H2,1,2,3,4)",LIGCXACTUZWMFH-UHFFFAOYSA-N,C14H22N4O4S,342.42,342.1361764,,142,158,0,4,8,2,23,,,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0
BIS(DI-TERT-BUTYL(4-DIMETHYLAMINOPHENYL)PHOSPHINE)DICHLOROPALLADIUM(II),887919-35-9,11714597,"bis(4-ditert-butylphosphanyl-N,N-dimethylaniline);dichloropalladium",CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.Cl[Pd]Cl,"InChI=1S/2C16H28NP.2ClH.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;;;/h2*9-12H,1-8H3;2*1H;/q;;;;+2/p-2",DWOZNANUEDYIOF-UHFFFAOYSA-L,C32H56Cl2N2P2Pd,708.1,706.23306,,6.5,240,0,0,2,8,39,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
"(beta-4)-bis(3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-o1,o2)zinc",042405-40-3,4255607,"bis(3,5-ditert-butyl-2-hydroxybenzoic acid);zinc",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O.[Zn],"InChI=1S/2C15H22O3.Zn/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);",UZMHWULPQWNCOB-UHFFFAOYSA-N,C30H44O6Zn,566,564.242931,,115,688,0,4,6,6,37,,,1,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
MAGNESIUM MONOPEROXYPHTHALATE,078948-87-5,54691831,magnesium bis(2-carboxybenzenecarboperoxoate),C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].[Mg+2],"InChI=1S/2C8H6O5.Mg/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;/h2*1-4,12H,(H,9,10);/q;;+2/p-2",PIOZZBNFRIZETM-UHFFFAOYSA-L,C16H10MgO10,386.55,386.0124382,,173,213,0,2,10,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
"BENZENEDIAZONIUM, 4-(DIMETHYLAMINO)-, SALT WITH 2-HYDROXY-5-SULFOBENZOIC ACID",124737-31-1,164194,3-carboxy-4-hydroxybenzenesulfonate;4-(dimethylamino)benzenediazonium,CN(C)C1=CC=C(C=C1)[N+]#N.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O,"InChI=1S/C8H10N3.C7H6O6S/c1-11(2)8-5-3-7(10-9)4-6-8;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h3-6H,1-2H3;1-3,8H,(H,9,10)(H,11,12,13)/q+1;/p-1",OWVHHXKGBMBZIY-UHFFFAOYSA-M,C15H15N3O6S,365.4,365.0681564,,155,462,0,2,8,2,25,,,0,1,1,1,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1,0
DL-AMPHETAMINE SULFATE,000060-13-9,6055,bis(1-phenylpropan-2-amine);sulfuric acid,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,"InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)",PYHRZPFZZDCOPH-UHFFFAOYSA-N,C18H28N2O4S,368.5,368.1769786,,135,166,0,4,6,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENYLMERCURIC NITRATE, BASIC",008003-05-2,53384577,bis(phenylmercury(1+));hydroxide;nitrate,C1=CC=C(C=C1)[Hg+].C1=CC=C(C=C1)[Hg+].[N+](=O)([O-])[O-].[OH-],InChI=1S/2C6H5.2Hg.NO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;;1H2/q;;2*+1;-1;/p-1,DQZCXZOUXZTNCU-UHFFFAOYSA-M,C12H11Hg2NO4,634.4,635.007778,,63.9,64,0,1,4,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
BIS(BENZONITRILE)PALLADIUM(II) DICHLORIDE,014220-64-5,498840,bis(benzonitrile);dichloropalladium,C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.Cl[Pd]Cl,InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2,WXNOJTUTEXAZLD-UHFFFAOYSA-L,C14H10Cl2N2Pd,383.6,381.92558,,47.6,106,0,0,2,0,19,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENEMETHANOL, .ALPHA.-[1-(METHYLAMINO)ETHYL]-, [R-(R*,S*)]-, SULFATE (2:1)",000134-72-5,5359318,"bis((1R,2S)-2-(methylamino)-1-phenylpropan-1-ol);sulfuric acid",C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.OS(=O)(=O)O,"InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10-;/m00./s1",CAVQBDOACNULDN-KHFUBBAMSA-N,C20H32N2O6S,428.5,428.1981079,,148,202,0,6,8,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, BARIUM SALT",000533-00-6,160513,barium(2+) dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ba+2],"InChI=1S/2C7H6O2.Ba/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",MJIAXOYYJWECDI-UHFFFAOYSA-L,C14H10BaO4,379.55,379.963156,,80.3,98,0,0,4,0,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHYLBENZOIC ACID, CADMIUM SALT",027476-27-3,104161,cadmium(2+);bis(2-methylbenzoate),CC1=CC=CC=C1C(=O)[O-].CC1=CC=CC=C1C(=O)[O-].[Cd+2],"InChI=1S/2C8H8O2.Cd/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",CTBIYKCSLJGMRW-UHFFFAOYSA-L,C16H14CdO4,382.69,383.992574,,80.3,126,0,0,4,0,21,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"1,2-BENZENEDICARBOXYLIC ACID, COMPD. WITH BENZENAMINE (1:1)",050930-79-5,170940,aniline;phthalic acid,C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O,"InChI=1S/C8H6O4.C6H7N/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-6/h1-4H,(H,9,10)(H,11,12);1-5H,7H2",QGPZXNSBZMHHSR-UHFFFAOYSA-N,C14H13NO4,259.26,259.0844579,,101,223,0,3,5,2,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANILINE SULFATE,000542-16-5,10951,aniline;sulfuric acid,C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O,"InChI=1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)",FUKMEFZGEMVGLD-UHFFFAOYSA-N,C12H16N2O4S,284.33,284.0830782,,135,127,0,4,6,0,19,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,1,1,0
CALCIUM DODECYLBENZENESULFONATE,026264-06-2,156614057,calcium;benzenesulfonate;bis(dodecane),CCCCCCCCCCCC.CCCCCCCCCCCC.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2],"InChI=1S/2C12H26.2C6H6O3S.Ca/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*7-10(8,9)6-4-2-1-3-5-6;/h2*3-12H2,1-2H3;2*1-5H,(H,7,8,9);/q;;;;+2/p-2",LWDXFOSACPIHEU-UHFFFAOYSA-L,C36H62CaO6S2,695.1,694.3613729,,131,227,0,0,6,18,45,"less than 100 °F (USCG, 1999)",,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-(1,1-DIMETHYLETHYL)BENZOIC ACID, CADMIUM SALT",004167-05-9,77829,bis(4-tert-butylbenzoate);cadmium(2+),CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Cd+2],"InChI=1S/2C11H14O2.Cd/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",AVNPYADPFYLJJA-UHFFFAOYSA-L,C22H26CdO4,466.9,468.086474,,80.3,177,0,0,4,2,27,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1
"BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, ZINC SALT",004980-54-5,78676,zinc bis(4-tert-butylbenzoate),CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Zn+2],"InChI=1S/2C11H14O2.Zn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",LYSLZRDZOBAUFL-UHFFFAOYSA-L,C22H26O4Zn,419.8,418.112251,,80.3,177,0,0,4,2,27,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BENZENEMETHANOL, .ALPHA.-[1-(METHYLAMINO)ETHYL]-, [S-(R*,R*)]-, SULFATE (2:1)",007460-12-0,9802673,"bis((1S,2S)-2-(methylamino)-1-phenylpropan-1-ol);sulfuric acid",C[C@@H]([C@H](C1=CC=CC=C1)O)NC.C[C@@H]([C@H](C1=CC=CC=C1)O)NC.OS(=O)(=O)O,"InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1",CAVQBDOACNULDN-NRCOEFLKSA-N,C20H32N2O6S,428.5,428.1981079,,148,202,0,6,8,6,29,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"BENZENEDIAZONIUM, 4-CHLORO-2-NITRO-, TETRACHLOROZINCATE(2-) (2:1)",014263-89-9,84303,zinc;bis(4-chloro-2-nitrobenzenediazonium);tetrachloride,C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+]#N.C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],InChI=1S/2C6H3ClN3O2.4ClH.Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4,SEJJAROGLQFLQR-UHFFFAOYSA-J,C12H6Cl6N6O4Zn,576.3,573.784361,,148,231,0,0,10,0,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
BIS (SALICYCLATO)LEAD,015748-73-9,54683200,bis(2-carboxyphenolate);lead(2+),C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Pb+2],"InChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",CNVULGHYDPMIHD-UHFFFAOYSA-L,C14H10O6Pb,481,482.02439,,121,133,0,2,6,2,21,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"(T-4)-BIS(2-HYDROXYBENZOATO-O1,O2)ZINC",016283-36-6,54693468,zinc bis(2-carboxyphenolate),C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Zn+2],"InChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",PZXFWBWBWODQCS-UHFFFAOYSA-L,C14H10O6Zn,339.6,337.97688,,121,133,0,2,6,2,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-DIHYDROXYBENZOIC ACID, LEAD(2+) SALT (2:1)",041453-50-3,54682457,bis(2-carboxy-5-hydroxyphenolate);lead(2+),C1=CC(=C(C=C1O)[O-])C(=O)O.C1=CC(=C(C=C1O)[O-])C(=O)O.[Pb+2],"InChI=1S/2C7H6O4.Pb/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);/q;;+2/p-2",CQGXUYYUUPEUIH-UHFFFAOYSA-L,C14H10O8Pb,513,514.01422,,161,157,0,4,8,2,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, CALCIUM SALT",052509-84-9,104218,calcium bis(4-tert-butylbenzoate),CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ca+2],"InChI=1S/2C11H14O2.Ca/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",AUVFNPKOUHBNBP-UHFFFAOYSA-L,C22H26CaO4,394.5,394.1457002,,80.3,177,0,0,4,2,27,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD BENZOATE,051983-08-5,57351454,lead(2+) dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Pb+2],"InChI=1S/2C7H6O2.Pb/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",HEYYNPBHZQPMJJ-UHFFFAOYSA-L,C14H10O4Pb,449,450.03456,,80.3,98,0,0,4,0,19,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
P-METHYLAMINOPHENOL SULFATE,000055-55-0,5930,bis(4-(methylamino)phenol);sulfuric acid,CNC1=CC=C(C=C1)O.CNC1=CC=C(C=C1)O.OS(=O)(=O)O,"InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)",ZVNPWFOVUDMGRP-UHFFFAOYSA-N,C14H20N2O6S,344.39,344.1042075,,148,158,0,6,8,2,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
BAMETHANE SULFATE,005716-20-1,9871212,bis(4-[2-(butylamino)-1-hydroxyethyl]phenol);sulfuric acid,CCCCNCC(C1=CC=C(C=C1)O)O.CCCCNCC(C1=CC=C(C=C1)O)O.OS(=O)(=O)O,"InChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)",PARMADWNFXEEFC-UHFFFAOYSA-N,C24H40N2O8S,516.6,516.2505374,,188,237,0,8,10,12,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC PHENOLSULFONATE,000127-82-2,31391,zinc bis(4-hydroxybenzenesulfonate),C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2],"InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",ZNVKGUVDRSSWHV-UHFFFAOYSA-L,C12H10O8S2Zn,411.7,409.910851,,172,194,0,2,8,0,23,,"248 °F at 760 mmHg (decomposes) (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLORO(P-CYMENE)RUTHENIUM(II) DIMER,052462-29-0,10908223,bis(dichlororuthenium);bis(1-methyl-4-propan-2-ylbenzene),CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl,"InChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4",LAXRNWSASWOFOT-UHFFFAOYSA-J,C20H28Cl4Ru2,612.4,615.90133,,0,89,0,0,0,2,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
O-BENZYLGLYCINE TOLUENE-P-SULPHONATE,001738-76-7,6451311,benzyl 2-aminoacetate;4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CN,"InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)",WJKJXKRHMUXQSL-UHFFFAOYSA-N,C16H19NO5S,337.4,337.0983939,,115,348,0,2,6,5,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, COPPER(2+) SALT",000533-01-7,164650,copper dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Cu+2],"InChI=1S/2C7H6O2.Cu/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",YEOCHZFPBYUXMC-UHFFFAOYSA-L,C14H10CuO4,305.77,304.987506,,80.3,98,0,0,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PHENOL, BARIUM SALT",002678-41-3,165011,barium(2+) diphenoxide,C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ba+2],"InChI=1S/2C6H6O.Ba/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",HMOHOVASWYMMHA-UHFFFAOYSA-L,C12H10BaO2,323.53,323.973327,,46.1,46,0,0,2,0,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANAMINE, SULFATE (2:1)",005471-08-9,79620,bis(2-phenylethanamine);sulfuric acid,C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.OS(=O)(=O)O,"InChI=1S/2C8H11N.H2O4S/c2*9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h2*1-5H,6-7,9H2;(H2,1,2,3,4)",HETQJCLNYNEHRE-UHFFFAOYSA-N,C16H24N2O4S,340.4,340.1456784,,135,146,0,4,6,4,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, BARIUM SALT",010196-68-6,82446,barium(2+);bis(4-tert-butylbenzoate),CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ba+2],"InChI=1S/2C11H14O2.Ba/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",TVGPWOZHNCQATG-UHFFFAOYSA-L,C22H26BaO4,491.8,492.088356,,80.3,177,0,0,4,2,27,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"O-CRESOL, 5-AMINO-, SULFATE (2:1) (SALT)",010422-66-9,82618,bis(5-amino-2-methylphenol);sulfuric acid,CC1=C(C=C(C=C1)N)O.CC1=C(C=C(C=C1)N)O.OS(=O)(=O)O,"InChI=1S/2C7H9NO.H2O4S/c2*1-5-2-3-6(8)4-7(5)9;1-5(2,3)4/h2*2-4,9H,8H2,1H3;(H2,1,2,3,4)",DFXDIGLMOMCJFC-UHFFFAOYSA-N,C14H20N2O6S,344.39,344.1042075,,175,176,0,6,8,0,23,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEDIAZONIUM, 2-CHLORO-, (T-4)-TETRACHLOROZINCATE(2-) (2:1)",014263-92-4,167040,zinc;bis(2-chlorobenzenediazonium);tetrachloride,C1=CC=C(C(=C1)[N+]#N)Cl.C1=CC=C(C(=C1)[N+]#N)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],InChI=1S/2C6H4ClN2.4ClH.Zn/c2*7-5-3-1-2-4-6(5)9-8;;;;;/h2*1-4H;4*1H;/q2*+1;;;;;+2/p-4,DAGOHHHQXOCGSB-UHFFFAOYSA-J,C12H8Cl6N4Zn,486.3,483.814204,,56.3,137,0,0,6,0,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, NONYL-, BARIUM SALT",028987-17-9,14029936,barium(2+);bis(2-nonylphenolate),CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[Ba+2],"InChI=1S/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",SBMJKCDBJMFHGS-UHFFFAOYSA-L,C30H46BaO2,576,576.255028,,46.1,156,0,0,2,16,33,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-METHYL-, BARIUM SALT",067874-52-6,44150027,barium(2+);bis(4-methylbenzoate),CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].[Ba+2],"InChI=1S/2C8H8O2.Ba/c2*1-6-2-4-7(5-3-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",HVHWAUVVZBOIDD-UHFFFAOYSA-L,C16H14BaO4,407.6,407.994456,,80.3,118,0,0,4,0,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-METHYL-, BARIUM SALT",068092-47-7,56843688,barium(2+);bis(3-methylbenzoate),CC1=CC(=CC=C1)C(=O)[O-].CC1=CC(=CC=C1)C(=O)[O-].[Ba+2],"InChI=1S/2C8H8O2.Ba/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",HTZMRMLUWYGQFB-UHFFFAOYSA-L,C16H14BaO4,407.6,407.994456,,80.3,126,0,0,4,0,21,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 3-(ETHYLAMINO)-4-METHYL-, SULFATE (2:1) (SALT)",068239-79-2,109925,bis(3-(ethylamino)-4-methylphenol);sulfuric acid,CCNC1=C(C=CC(=C1)O)C.CCNC1=C(C=CC(=C1)O)C.OS(=O)(=O)O,"InChI=1S/2C9H13NO.H2O4S/c2*1-3-10-9-6-8(11)5-4-7(9)2;1-5(2,3)4/h2*4-6,10-11H,3H2,1-2H3;(H2,1,2,3,4)",GGPJLVOSJQOJSN-UHFFFAOYSA-N,C18H28N2O6S,400.5,400.1668078,,148,197,0,6,8,4,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 3-AMINO-, SULFATE (2:1) (SALT)",068239-81-6,163205,bis(3-aminophenol);sulfuric acid,C1=CC(=CC(=C1)O)N.C1=CC(=CC(=C1)O)N.OS(=O)(=O)O,"InChI=1S/2C6H7NO.H2O4S/c2*7-5-2-1-3-6(8)4-5;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)",TVBNHNUPRXSKHS-UHFFFAOYSA-N,C12H16N2O6S,316.33,316.0729074,,175,156,0,6,8,0,21,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"CHROMATE(1-), BIS[3,5-BIS(1,1-DIMETHYLETHYL)-2-HYDROXYBENZOATO(2-)-O1,O2]-, HY",072869-85-3,138395132,"chromium(3+);bis(3,5-ditert-butyl-2-oxidobenzoate);hydron",[H+].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(=O)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(=O)[O-].[Cr+3],"InChI=1S/2C15H22O3.Cr/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+3/p-3",RLEKOSNXOUWDLK-UHFFFAOYSA-K,C30H41CrO6,549.6,549.230819,,126,303,0,1,6,4,37,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)",104344-23-2,5281064,(E)-but-2-enedioic acid;bis(1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol),CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+",VMDFASMUILANOL-WXXKFALUSA-N,C40H66N2O12,767,766.4615755,,195,397,0,6,14,26,54,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-,",122647-32-9,5281065,(E)-but-2-enedioic acid;bis(N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide),CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+",PCIOHQNIRPWFMV-WXXKFALUSA-N,C44H76N4O10S2,885.2,884.500287,,231,561,0,6,14,30,60,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BRETYLIUM TOSYLATE,000061-75-6,6100,(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate,CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",KVWNWTZZBKCOPM-UHFFFAOYSA-M,C18H24BrNO3S,414.4,413.06603,,65.6,349,0,0,3,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FAST RED TR HEMI(ZINC CHLORIDE) SALT,089453-69-0,16212368,bis(4-chloro-2-methylbenzenediazonium);dichlorozinc;dichloride,CC1=C(C=CC(=C1)Cl)[N+]#N.CC1=C(C=CC(=C1)Cl)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl,"InChI=1S/2C7H6ClN2.4ClH.Zn/c2*1-5-4-6(8)2-3-7(5)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4",RIIVFDKBXXMYRL-UHFFFAOYSA-J,C14H12Cl6N4Zn,514.4,511.845504,,56.3,163,0,0,4,0,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYL-P-PHENYLENEDIAMINE OXALATE",062637-92-7,112893,"bis(4-N,4-N-diethylbenzene-1,4-diamine);oxalic acid",CCN(CC)C1=CC=C(C=C1)N.CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O,"InChI=1S/2C10H16N2.C2H2O4/c2*1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h2*5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)",JJEXNPALAITIMN-UHFFFAOYSA-N,C22H34N4O4,418.5,418.2580056,,133,185,0,4,8,7,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMENTYL-1,4-PHENYLENEDIAMINE",062778-12-5,112942,"bis(4-N,4-N-dimethylbenzene-1,4-diamine);oxalic acid",CN(C)C1=CC=C(C=C1)N.CN(C)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O,"InChI=1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)",MNUINXKPLPIOEF-UHFFFAOYSA-N,C18H26N4O4,362.4,362.1954053,,133,165,0,4,8,3,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEDIAZONIUM, 3-CHLORO-4-(DIMETHYLAMINO)-, (T-4)-TETRACHLOROZINCATE(2-) (2",068413-63-8,110219,zinc;bis(3-chloro-4-(dimethylamino)benzenediazonium);tetrachloride,CN(C)C1=C(C=C(C=C1)[N+]#N)Cl.CN(C)C1=C(C=C(C=C1)[N+]#N)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/2C8H9ClN3.4ClH.Zn/c2*1-12(2)8-4-3-6(11-10)5-7(8)9;;;;;/h2*3-5H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4",NSOVLJMVGDUGAB-UHFFFAOYSA-J,C16H18Cl6N6Zn,572.4,569.898602,,62.8,196,0,0,8,2,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, CADMIUM SALT",003026-22-0,76407,cadmium(2+) dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Cd+2],"InChI=1S/2C7H6O2.Cd/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",JOGSGUQZPZCJCG-UHFFFAOYSA-L,C14H10CdO4,354.64,355.961274,,80.3,98,0,0,4,0,19,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANESULFONAMIDE, N-[2-[(4-AMINO-3-METHYLPHENYL)ETHYLAMINO]ETHYL]-, SULFATE",025646-71-3,91578,bis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid,CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C12H21N3O2S.3H2O4S/c2*1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;3*1-5(2,3)4/h2*5-6,9,14H,4,7-8,13H2,1-3H3;3*(H2,1,2,3,4)",NPDFXFLCEDDWEG-UHFFFAOYSA-N,C24H48N6O16S5,837,836.1730353,,417,421,0,10,22,12,51,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, DODECYL-, MAGNESIUM SALT",027479-45-4,168704,magnesium bis(2-dodecylbenzenesulfonate),CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Mg+2],"InChI=1S/2C18H30O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",OQXSVLMHUIVNRJ-UHFFFAOYSA-L,C36H58MgO6S2,675.3,674.3525236,,131,346,0,0,6,22,45,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM(2+), HEXAAQUA-, (OC-6-11)-, SALT WITH 2-CARBOXYBENZENECARBOPEROXOIC",084698-58-8,54716542,magnesium;bis(2-carboxybenzenecarboperoxoate);hexahydrate,C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O[O-].O.O.O.O.O.O.[Mg+2],"InChI=1S/2C8H6O5.Mg.6H2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;;;;;;;/h2*1-4,12H,(H,9,10);;6*1H2/q;;+2;;;;;;/p-2",WWOYCMCZTZTIGU-UHFFFAOYSA-L,C16H22MgO16,494.6,494.0758263,,179,213,0,8,16,4,33,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENETHIOL, PENTACHLORO-, ZINC SALT",000117-97-5,61044,"zinc bis(2,3,4,5,6-pentachlorobenzenethiolate)",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[S-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[S-].[Zn+2],InChI=1S/2C6HCl5S.Zn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2,ONSIBMFFLJKTPT-UHFFFAOYSA-L,C12Cl10S2Zn,628.2,625.555911,,2,150,0,0,2,0,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-METHYL-, COPPER(2+) SALT",007144-37-8,160882,copper bis(4-methylbenzenesulfonate),CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Cu+2],"InChI=1S/2C7H8O3S.Cu/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",MRYMYQPDGZIGDM-UHFFFAOYSA-L,C14H14CuO6S2,405.9,404.952778,,131,193,0,0,6,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COPPER(II) BENZOYLACETONATE,014128-84-8,5486779,copper bis((Z)-3-oxo-1-phenylbut-1-en-1-olate),CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Cu+2],"InChI=1S/2C10H10O2.Cu/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*2-7,12H,1H3;/q;;+2/p-2/b2*10-7-;",IIPJCJBKVVFLHI-CVMHYBSASA-L,C20H18CuO4,385.9,385.050106,,80.3,188,0,0,4,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METOPROLOL TARTRATE,056392-17-7,441308,"(2R,3R)-2,3-dihydroxybutanedioic acid;bis(1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)",CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1",YGULWPYYGQCFMP-CEAXSRTFSA-N,C34H56N2O12,684.8,684.3833252,,217,349,0,8,14,21,48,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"BENZOIC ACID, MAGNESIUM SALT",000553-70-8,62371,magnesium dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Mg+2],"InChI=1S/2C7H6O2.Mg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",PJJZFXPJNUVBMR-UHFFFAOYSA-L,C14H10MgO4,266.53,266.0429505,,80.3,98,0,0,4,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-METHYL-, ZINC SALT",013438-45-4,83452,zinc bis(4-methylbenzenesulfonate),CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Zn+2],"InChI=1S/2C7H8O3S.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",YISPIDBWTUCKKH-UHFFFAOYSA-L,C14H14O6S2Zn,407.8,405.952322,,131,193,0,0,6,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFINIC ACID, ZINC SALT",024308-84-7,161446,zinc benzenesulfinate,C1=CC=C(C=C1)S(=O)[O-].C1=CC=C(C=C1)S(=O)[O-].[Zn+2],"InChI=1S/2C6H6O2S.Zn/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);/q;;+2/p-2",UMGLWJIVIBWZCW-UHFFFAOYSA-L,C12H10O4S2Zn,347.7,345.931193,,119,102,0,0,6,0,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENEDIAZONIUM, 2-METHOXY-4-NITRO-, (T-4)-TETRACHLOROZINCATE(2-) (2:1)",056315-29-8,91798,zinc;bis(2-methoxy-4-nitrobenzenediazonium);tetrachloride,COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/2C7H6N3O3.4ClH.Zn/c2*1-13-7-4-5(10(11)12)2-3-6(7)9-8;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4",UARCMBSHWXFAAC-UHFFFAOYSA-J,C14H12Cl4N6O6Zn,567.5,565.883435,,166,241,0,0,12,2,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, NICKEL(2+) SALT (2:1)",052625-25-9,54697860,"bis(2,6-ditert-butyl-4-carboxyphenolate);nickel(2+)",CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C(=O)O.CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C(=O)O.[Ni+2],"InChI=1S/2C15H22O3.Ni/c2*1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2",VIUVLVWUWLHYGT-UHFFFAOYSA-L,C30H42NiO6,557.3,556.233481,,121,285,0,2,6,6,37,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"CHROMATE(1-), DIAQUABIS[2-HYDROXYBENZOATO(2-)-O1,O2]-, AMMONIUM",068214-26-6,176324,azanium;chromium(3+);bis(2-oxidobenzoate);dihydrate,C1=CC=C(C(=C1)C(=O)[O-])[O-].C1=CC=C(C(=C1)C(=O)[O-])[O-].[NH4+].O.O.[Cr+3],"InChI=1S/2C7H6O3.Cr.H3N.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);;1H3;2*1H2/q;;+3;;;/p-3",VGYJEWWHLCHING-UHFFFAOYSA-K,C14H16CrNO8,378.27,378.028096,,129,127,0,3,8,0,24,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, COBALT(2+) SALT",000932-69-4,164760,cobalt(2+) dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Co+2],"InChI=1S/2C7H6O2.Co/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",GAYAMOAYBXKUII-UHFFFAOYSA-L,C14H10CoO4,301.16,300.991102,,80.3,98,0,0,4,0,19,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, ZINC SALT",000553-72-0,160523,zinc dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zn+2],"InChI=1S/2C7H6O2.Zn/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",JDLYKQWJXAQNNS-UHFFFAOYSA-L,C14H10O4Zn,307.6,305.987051,,80.3,98,0,0,4,0,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-METHYL-, ZINC SALT",068092-46-6,163182,zinc bis(3-methylbenzoate),CC1=CC(=CC=C1)C(=O)[O-].CC1=CC(=CC=C1)C(=O)[O-].[Zn+2],"InChI=1S/2C8H8O2.Zn/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",FVAFBVXHPTZJFY-UHFFFAOYSA-L,C16H14O4Zn,335.7,334.018351,,80.3,126,0,0,4,0,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM BENZOATE,002090-05-3,62425,calcium dibenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2],"InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",NSQPPSOSXWOZNH-UHFFFAOYSA-L,C14H10CaO4,282.3,282.0204996,,80.3,98,0,0,4,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-[2-(ETHYLPHENYLAMINO)ETHYL]-2-HYDROXY-N,N-DIMETHYL-, SULFAT",072269-47-7,44147469,bis(2-(N-ethylanilino)ethyl-(2-hydroxypropyl)-dimethylazanium);sulfate,CCN(CC[N+](C)(C)CC(C)O)C1=CC=CC=C1.CCN(CC[N+](C)(C)CC(C)O)C1=CC=CC=C1.[O-]S(=O)(=O)[O-],"InChI=1S/2C15H27N2O.H2O4S/c2*1-5-16(15-9-7-6-8-10-15)11-12-17(3,4)13-14(2)18;1-5(2,3)4/h2*6-10,14,18H,5,11-13H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",HIRRJFUGIJEXTB-UHFFFAOYSA-L,C30H54N4O6S,598.8,598.3764066,,136,287,0,2,8,14,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-AMINO-3-NITRO-, AMMONIUM SODIUM SALT",082324-60-5,44149929,azanium;sodium;bis(4-amino-3-nitrobenzenesulfonate),C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])N.C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])N.[NH4+].[Na+],"InChI=1S/2C6H6N2O5S.H3N.Na/c2*7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;;/h2*1-3H,7H2,(H,11,12,13);1H3;/q;;;+1/p-1",UMGORPGGEPJJLH-UHFFFAOYSA-M,C12H14N5NaO10S2,475.4,475.0079783,,276,303,0,3,12,0,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1)",000824-35-1,54684600,calcium bis(2-carboxyphenolate),C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Ca+2],"InChI=1S/2C7H6O3.Ca/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",VBIGULIJWJPALH-UHFFFAOYSA-L,C14H10CaO6,314.3,314.0103289,,121,133,0,2,6,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, 3,5-dihydroxy-alpha-((isopropylamino)methyl)-, sulfate (2:1) (",005874-97-5,441333,"bis(5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol);sulfuric acid",CC(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O,"InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)",MKFFGUZYVNDHIH-UHFFFAOYSA-N,C22H36N2O10S,520.6,520.2090665,,228,258,0,10,12,8,35,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL]METHYL]-, MONOET",065140-91-2,103255,"calcium bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate)",CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2],"InChI=1S/2C17H29O4P.Ca/c2*1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2",SJEZDMHBMZPMME-UHFFFAOYSA-L,C34H56CaO8P2,694.8,694.3076336,,139,376,0,2,8,12,45,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,5-dihydroxy-, sulfate (2:1)",023031-32-5,441334,"bis(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol);sulfuric acid",CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O,"InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)",KFVSLSTULZVNPG-UHFFFAOYSA-N,C24H40N2O10S,548.6,548.2403667,,228,286,0,10,12,8,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)phenyl)amino)-3-oxopropyl)dimethy",094055-76-2,71773,[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium;4-methylbenzenesulfonate,CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C16H25NO4S.C7H8O3S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,14,18H,4,9-12H2,1-3H3;2-5H,1H3,(H,8,9,10)",RYVJQEZJUFRANT-UHFFFAOYSA-N,C23H33NO7S2,499.6,499.1698447,,134,500,0,2,7,10,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENESULFINIC ACID, 4-METHYL-, ZINC SALT",024345-02-6,90472,zinc bis(4-methylbenzenesulfinate),CC1=CC=C(C=C1)S(=O)[O-].CC1=CC=C(C=C1)S(=O)[O-].[Zn+2],"InChI=1S/2C7H8O2S.Zn/c2*1-6-2-4-7(5-3-6)10(8)9;/h2*2-5H,1H3,(H,8,9);/q;;+2/p-2",KHYUFILZGMOXBR-UHFFFAOYSA-L,C14H14O4S2Zn,375.8,373.962493,,119,122,0,0,6,0,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, alpha-methyl-, sulfate (2:1), (-)-",51-62-7,20055400,bis((2R)-1-phenylpropan-2-amine);sulfuric acid,C[C@H](CC1=CC=CC=C1)N.C[C@H](CC1=CC=CC=C1)N.OS(=O)(=O)O,"InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m11./s1",PYHRZPFZZDCOPH-GGTCEIRZSA-N,C18H28N2O4S,368.5,368.1769786,,135,166,0,4,6,4,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenethylamine, alpha-methyl-, sulfate (2:1), (+)-",51-63-8,5825,bis((2S)-1-phenylpropan-2-amine);sulfuric acid,C[C@@H](CC1=CC=CC=C1)N.C[C@@H](CC1=CC=CC=C1)N.OS(=O)(=O)O,"InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1",PYHRZPFZZDCOPH-QXGOIDDHSA-N,C18H28N2O4S,368.5,368.1769786,,135,166,0,4,6,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, triethyl(2-hydroxyethyl)-, p-toluenesulfonate, 2,3,4-trimethoxybenzoate (ester)",391-70-8,11756111,"4-methylbenzenesulfonate;triethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium",CC[N+](CC)(CC)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C18H30NO5.C7H8O3S/c1-7-19(8-2,9-3)10-11-24-18(20)14-12-15(21-4)17(23-6)16(13-14)22-5;1-6-2-4-7(5-3-6)11(8,9)10/h12-13H,7-11H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",LZMHPQDAYHVLMG-UHFFFAOYSA-M,C25H37NO8S,511.6,511.2239883,,120,543,0,0,8,11,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(2-(dimethylamino)ethyl)-, sulfate (2:1) (salt)",622-64-0,76972130,bis(4-[2-(dimethylamino)ethyl]phenol);sulfate,CN(C)CCC1=CC=C(C=C1)O.CN(C)CCC1=CC=C(C=C1)O.[O-]S(=O)(=O)[O-],"InChI=1S/2C10H15NO.H2O4S/c2*1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h2*3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)/p-2",PKCUSEDYJXJFJO-UHFFFAOYSA-L,C20H30N2O6S-2,426.5,426.1824579,,136,179,-2,2,8,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N,alpha,alpha-trimethyl-, sulfate (2:1)",1212-72-2,71611,"bis(N,2-dimethyl-1-phenylpropan-2-amine);sulfuric acid",CC(C)(CC1=CC=CC=C1)NC.CC(C)(CC1=CC=CC=C1)NC.OS(=O)(=O)O,"InChI=1S/2C11H17N.H2O4S/c2*1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8,12H,9H2,1-3H3;(H2,1,2,3,4)",DNKCFBJMFIUNRS-UHFFFAOYSA-N,C22H36N2O4S,424.6,424.2395788,,107,204,0,4,6,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Dinocton-O,8069-76-9,202240,"(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate",CCCCCC(CC)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC.CCCCC(CCC)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC,"InChI=1S/2C16H22N2O7/c1-4-6-7-8-11(5-2)13-9-12(17(20)21)10-14(18(22)23)15(13)25-16(19)24-3;1-4-6-8-11(7-5-2)13-9-12(17(20)21)10-14(18(22)23)15(13)25-16(19)24-3/h2*9-11H,4-8H2,1-3H3",BTYIGYHTCNTYTP-UHFFFAOYSA-N,C32H44N4O14,708.7,708.2854021,,254,921,0,0,14,18,50,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chromium, dicumenyl-",12001-89-7,114589,chromium;cumene,CC(C)C1=CC=CC=C1.CC(C)C1=CC=CC=C1.[Cr],"InChI=1S/2C9H12.Cr/c2*1-8(2)9-6-4-3-5-7-9;/h2*3-8H,1-2H3;",AWNBGWWVMCBBST-UHFFFAOYSA-N,C18H24Cr,292.4,292.128305,,0,68,0,0,0,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Zinc, bis(N-ethyldithiocarbanilato)",14634-93-6,6093375,zinc bis(N-ethyl-N-phenylcarbamodithioate),CCN(C1=CC=CC=C1)C(=S)[S-].CCN(C1=CC=CC=C1)C(=S)[S-].[Zn+2],"InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2",KMNUDJAXRXUZQS-UHFFFAOYSA-L,C18H20N2S4Zn,458,455.980075,,72.7,147,0,0,4,4,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Zinc, bis(2-aminophenylthio)-",14650-81-8,203536,zinc bis(2-aminobenzenethiolate),C1=CC=C(C(=C1)N)[S-].C1=CC=C(C(=C1)N)[S-].[Zn+2],"InChI=1S/2C6H7NS.Zn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,8H,7H2;/q;;+2/p-2",RPUGZLGVGYYLDA-UHFFFAOYSA-L,C12H12N2S2Zn,313.8,311.973333,,54,74,0,2,4,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum (II), bis(benzonitrile)dichloro-, cis-",15617-19-3,6093685,bis(benzonitrile);dichloroplatinum,C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.Cl[Pt]Cl,InChI=1S/2C7H5N.2ClH.Pt/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2,WAJRCRIROYMRKA-UHFFFAOYSA-L,C14H10Cl2N2Pt,472.2,470.986898,,47.6,106,0,0,2,0,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt",20123-80-2,29963,"calcium bis(2,5-dihydroxybenzenesulfonate)",C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Ca+2],"InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2",QGNBTYAQAPLTMX-UHFFFAOYSA-L,C12H10CaO10S2,418.4,417.9341297,,212,228,0,4,10,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-, salt with 4-methylbenzenesulfonicacid (1:1)",92953-10-1,175533,4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate,CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",MOQZYUUHIWPDQC-UHFFFAOYSA-M,C28H44ClNO3S,510.2,509.2730431,,65.6,460,0,0,3,13,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, butanedioate (2:1) (salt)",98418-47-4,62937,butanedioic acid;bis(1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol),CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(CC(=O)O)C(=O)O,"InChI=1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8)",RGHAZVBIOOEVQX-UHFFFAOYSA-N,C34H56N2O10,652.8,652.393496,,176,308,0,6,12,21,46,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis(1-methylethyl)-, (alpha-S,delta-S,gamma-S,zeta-S)-, (2E)-2-butenedioate (2:1)",173334-58-2,6918427,"bis((2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide);(E)-but-2-enedioic acid",CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1",KLRSDBSKUSSCGU-KRQUFFFQSA-N,C64H110N6O16,1219.6,1218.797831,,367,836,0,10,18,40,86,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
DIPICRYLAMINE,000131-73-7,8576,"2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline",C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H",CBCIHIVRDWLAME-UHFFFAOYSA-N,C12H5N7O12,439.21,438.9996186,3,287,662,0,1,13,2,31,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 4-[(2,4-DINITROPHENYL)AMINO]-",000119-15-3,3858081,"4-(2,4-dinitroanilino)phenol",C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H",BCPQALWAROJVLE-UHFFFAOYSA-N,C12H9N3O5,275.22,275.0542204,3.4,124,359,0,2,6,2,20,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-METHYL-2,4-DINITRO-N-PHENYL-6-(TRIFLUOROMETHYL)-",063333-32-4,113179,"N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline",CN(C1=CC=CC=C1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F,"InChI=1S/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3",JYCNXMMTVIAGJC-UHFFFAOYSA-N,C14H10F3N3O4,341.24,341.0623403,4.1,94.9,471,0,0,8,2,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMETHALIN,063333-35-7,44465,"N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline",CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br,"InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3",USMZPYXTVKAYST-UHFFFAOYSA-N,C14H7Br3F3N3O4,577.93,576.79183,6.2,94.9,563,0,0,8,2,27,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(4-METHOXYPHENYL)-1,4-BENZENEDIAMINE HYDROCHLORIDE",003566-44-7,77108,"4-N-(4-methoxyphenyl)benzene-1,4-diamine;hydrochloride",COC1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,"InChI=1S/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H",HPQQXLXIGHOKNZ-UHFFFAOYSA-N,C13H15ClN2O,250.72,250.0872908,,47.3,194,0,3,3,3,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(PHENYLAMINO)BENZENEDIAZONIUM SULFATE (1:1),004477-28-5,78231,4-anilinobenzenediazonium;hydrogen sulfate,C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)[O-],"InChI=1S/C12H10N3.H2O4S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h1-9,14H;(H2,1,2,3,4)/q+1;/p-1",FMRQRWPEQSPSDG-UHFFFAOYSA-M,C12H11N3O4S,293.3,293.047027,,126,304,0,2,6,2,20,,,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"BENZENEDIAZONIUM, 4-[(4-METHOXYPHENYL)AMINO]-, CHLORIDE",000101-69-9,160425,4-(4-methoxyanilino)benzenediazonium chloride,COC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.[Cl-],"InChI=1S/C13H12N3O.ClH/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;/h2-9,15H,1H3;1H/q+1;/p-1",AAXAHUUIRLOQMB-UHFFFAOYSA-M,C13H12ClN3O,261.7,261.0668897,,49.4,270,0,1,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Anthranilic acid, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-",000530-78-9,3371,2-[3-(trifluoromethyl)anilino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",LPEPZBJOKDYZAD-UHFFFAOYSA-N,C14H10F3NO2,281.23,281.0663631,5.2,49.3,346,0,2,6,3,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(3-chloro-o-tolyl)-",013710-19-5,610479,2-(3-chloro-2-methylanilino)benzoic acid,CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)",YEZNLOUZAIOMLT-UHFFFAOYSA-N,C14H12ClNO2,261.7,261.0556563,5.2,49.3,298,0,2,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt",015307-79-6,5018304,"sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate",C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+],"InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1",KPHWPUGNDIVLNH-UHFFFAOYSA-M,C14H10Cl2NNaO2,318.1,316.9986282,,52.2,310,0,1,3,4,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"Acetic acid, (o-(2,6-dichloroanilino)phenyl)-",015307-86-5,3033,"2-[2-(2,6-dichloroanilino)phenyl]acetic acid",C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,296.1,295.016684,4.4,49.3,304,0,2,3,4,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Anthranilic acid, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 2-(2-hydroxyethoxy",030544-47-9,35375,2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate,C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",XILVEPYQJIOVNB-UHFFFAOYSA-N,C18H18F3NO4,369.3,369.1187925,4.7,67.8,433,0,2,8,9,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYLAMINE,000122-39-4,11487,N-phenylaniline,C1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",DMBHHRLKUKUOEG-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,3.5,12,116,0,1,1,2,13,"307 °F (NTP, 1992)","576 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,1-DIPHENYLHYDRAZINE HYDROCHLORIDE",000530-47-2,10738,"1,1-diphenylhydrazine;hydrochloride",C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl,"InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H",MIVUDWFNUOXEJM-UHFFFAOYSA-N,C12H13ClN2,220.7,220.0767261,,29.3,140,0,2,2,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE",000793-24-8,13101,"4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine",CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3",ZZMVLMVFYMGSMY-UHFFFAOYSA-N,C18H24N2,268.4,268.1939488,5.6,24.1,250,0,2,2,6,20,"400 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
P-NITROSODIPHENYLAMINE,000156-10-5,9074,4-nitroso-N-phenylaniline,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,"InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H",OIJHFHYPXWSVPF-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,2.5,41.5,194,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N-PHENYL-1,4-PHENYLENEDIAMINE",000101-54-2,7564,"4-N-phenylbenzene-1,4-diamine",C1=CC=C(C=C1)NC2=CC=C(C=C2)N,"InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2",ATGUVEKSASEFFO-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.5,38.1,156,0,2,2,2,14,"380 °F (NTP, 1992)","669 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Anthranilic acid, N-(2,3-xylyl)-",000061-68-7,4044,"2-(2,3-dimethylanilino)benzoic acid",CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N,C15H15NO2,241.28,241.1102787,5.1,49.3,292,0,2,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENESULFONIC ACID, 5-AMINO-2-(PHENYLAMINO)-",000091-30-5,66671,5-amino-2-anilinobenzenesulfonic acid,C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O,"InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)",HYLOSPCJTPLXSF-UHFFFAOYSA-N,C12H12N2O3S,264.3,264.0568634,2.1,101,360,0,3,5,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDIAMINE, N-(4-METHOXYPHENYL)-",000101-64-4,66869,"4-N-(4-methoxyphenyl)benzene-1,4-diamine",COC1=CC=C(C=C1)NC2=CC=C(C=C2)N,"InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3",RBLUJIWKMSZIMK-UHFFFAOYSA-N,C13H14N2O,214.26,214.1106131,2.5,47.3,194,0,2,3,3,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, 1,1-DIPHENYL-",000530-50-7,10739,"1,1-diphenylhydrazine",C1=CC=C(C=C1)N(C2=CC=CC=C2)N,"InChI=1S/C12H12N2/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2",YHYKLKNNBYLTQY-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.8,29.3,140,0,1,2,2,14,,220 °C at 40 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, N-PHENYL-, HYDROCHLORIDE",000537-67-7,68311,N-phenylaniline;hydrochloride,C1=CC=C(C=C1)NC2=CC=CC=C2.Cl,"InChI=1S/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H",JEFJSEIUEJBMSR-UHFFFAOYSA-N,C12H12ClN,205.68,205.0658271,,12,116,0,2,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-PHENYL-, SULFATE (1:1)",000587-84-8,11486,N-phenylaniline;sulfuric acid,C1=CC=C(C=C1)NC2=CC=CC=C2.OS(=O)(=O)O,"InChI=1S/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)",IPZMDJYHJNHGML-UHFFFAOYSA-N,C12H13NO4S,267.3,267.0565291,,95,197,0,3,5,2,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-METHYL-N-PHENYL-",000620-84-8,12109,4-methyl-N-phenylaniline,CC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3",AGHYMXKKEXDUTA-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.9,12,153,0,1,1,2,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-METHYL-N-(4-METHYLPHENYL)-",000620-93-9,69293,4-methyl-N-(4-methylphenyl)aniline,CC1=CC=C(C=C1)NC2=CC=C(C=C2)C,"InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3",RHPVVNRNAHRJOQ-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,4.2,12,154,0,1,1,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(2,6-dichloro-m-tolyl)-",000644-62-2,4037,"2-(2,6-dichloro-3-methylanilino)benzoic acid",CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,296.1,295.016684,5.2,49.3,327,0,2,3,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. SULPHUR BLUE 7,001327-57-7,22586,4-(4-amino-3-methylanilino)phenol,CC1=C(C=CC(=C1)NC2=CC=C(C=C2)O)N,"InChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3",JGXPJGJSAMZYBO-UHFFFAOYSA-N,C13H14N2O,214.26,214.1106131,2.4,58.3,214,0,3,3,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BENZENEDIAMINE, 2-NITRO-N1-PHENYL-",002784-89-6,5464602,"2-nitro-1-N-phenylbenzene-1,4-diamine",C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)[N+](=O)[O-],"InChI=1S/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2",WHJNKCNHEVCICH-UHFFFAOYSA-N,C12H11N3O2,229.23,229.0851266,3,83.9,261,0,2,4,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Anthranilic acid, N-(2,6-dichloro-m-tolyl)-, monosodium salt",006385-02-0,4038,"sodium 2-(2,6-dichloro-3-methylanilino)benzoate",CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+],"InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1",OGPIIGMUPMPMNT-UHFFFAOYSA-M,C14H10Cl2NNaO2,318.1,316.9986282,,52.2,332,0,1,3,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, N-(1,3-DIMETHYLBUTYL)-N-PHENYL-",061931-82-6,93335,"4-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine",CC(C)CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)N,"InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3",KZTCAXCBXSIQSS-UHFFFAOYSA-N,C18H24N2,268.4,268.1939488,5,29.3,263,0,1,2,5,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 2-((2-carboxyphenyl)amino)-4-chloro-, disodium salt",064808-48-6,47462,disodium;2-(2-carboxylatoanilino)-4-chlorobenzoate,C1=CC=C(C(=C1)C(=O)[O-])NC2=C(C=CC(=C2)Cl)C(=O)[O-].[Na+].[Na+],"InChI=1S/C14H10ClNO4.2Na/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18;;/h1-7,16H,(H,17,18)(H,19,20);;/q;2*+1/p-2",QPJBONAWFAURGB-UHFFFAOYSA-L,C14H8ClNNa2O4,335.65,334.993724,,92.3,365,0,1,5,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, butyl ester",067330-25-0,5632,butyl 2-[3-(trifluoromethyl)anilino]benzoate,CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3",JDLSRXWHEBFHNC-UHFFFAOYSA-N,C18H18F3NO2,337.3,337.1289633,6.8,38.3,400,0,1,6,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDICARBOXYLIC ACID, 2-BROMO-5-(PHENYLAMINO)-",071033-00-6,116984,2-anilino-5-bromoterephthalic acid,C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)Br)C(=O)O,"InChI=1S/C14H10BrNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20)",XEXVUFBWMIYKRM-UHFFFAOYSA-N,C14H10BrNO4,336.14,334.97932,4.6,86.6,370,0,3,5,4,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDIAMINE, N-PHENYL-",000534-85-0,68297,"2-N-phenylbenzene-1,2-diamine",C1=CC=C(C=C1)NC2=CC=CC=C2N,"InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2",NFCPRRWCTNLGSN-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.8,38.1,164,0,2,2,2,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 3-(PHENYLAMINO)-",000101-18-8,7546,3-anilinophenol,C1=CC=C(C=C1)NC2=CC(=CC=C2)O,"InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H",NDACNGSDAFKTGE-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,3.1,32.3,166,0,2,2,2,14,,"644 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIAMINE, N-PHENYL-, MONOHYDROCHLORIDE",002198-59-6,75146,"4-N-phenylbenzene-1,4-diamine;hydrochloride",C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,"InChI=1S/C12H12N2.ClH/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;/h1-9,14H,13H2;1H",PNEVDCGZQWFIKV-UHFFFAOYSA-N,C12H13ClN2,220.7,220.0767261,,38.1,156,0,3,2,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-NITROSODIPHENYLAMINE,000086-30-6,6838,"N,N-diphenylnitrous amide",C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,UBUCNCOMADRQHX-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,3.1,32.7,178,0,0,3,2,15,,101 °C,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
P-ANILINOPHENOL,000122-37-2,31208,4-anilinophenol,C1=CC=C(C=C1)NC2=CC=C(C=C2)O,"InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H",JTTMYKSFKOOQLP-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.8,32.3,158,0,2,2,2,14,,,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[(2-NITROPHENYL)AMINO]-",054381-08-7,3846708,4-(2-nitroanilino)phenol,C1=CC=C(C(=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-],"InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H",HSDSBIUUVWRHTM-UHFFFAOYSA-N,C12H10N2O3,230.22,230.0691422,3.3,78.1,259,0,2,4,2,17,,,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLCARBAMOYL CHLORIDE,000083-01-2,65741,"N,N-diphenylcarbamoyl chloride",C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)Cl,InChI=1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,XNBKKRFABABBPM-UHFFFAOYSA-N,C13H10ClNO,231.68,231.0450916,3.8,20.3,214,0,0,1,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"N-PHENYLSULFANILIC ACID, SODIUM SALT",006152-67-6,517002,sodium 4-anilinobenzenesulfonate,C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+],"InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1",DGXTZMPQSMIFEC-UHFFFAOYSA-M,C12H10NNaO3S,271.27,271.0279086,,77.6,328,0,1,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITRODIPHENYLAMINE,000119-75-5,8407,2-nitro-N-phenylaniline,C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-],"InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H",RUKISNQKOIKZGT-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,3.7,57.9,234,0,1,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITRODIPHENYLAMINE",000961-68-2,13748,"2,4-dinitro-N-phenylaniline",C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H",RHTVQEPJVKUMPI-UHFFFAOYSA-N,C12H9N3O4,259.22,259.0593058,3.5,104,333,0,1,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-IMINODIBENZOIC ACID",000579-92-0,11371,2-(2-carboxyanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)",ZFRNOTZQUGWMQN-UHFFFAOYSA-N,C14H11NO4,257.24,257.0688078,3.9,86.6,312,0,3,5,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(PHENYLAMINO)-",000091-40-7,4386,2-anilinobenzoic acid,C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O,"InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)",ZWJINEZUASEZBH-UHFFFAOYSA-N,C13H11NO2,213.23,213.0789786,4.4,49.3,236,0,2,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-METHOXY-N-(4-METHOXYPHENYL)-",000101-70-2,7571,4-methoxy-N-(4-methoxyphenyl)aniline,COC1=CC=C(C=C1)NC2=CC=C(C=C2)OC,"InChI=1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3",VCOONNWIINSFBA-UHFFFAOYSA-N,C14H15NO2,229.27,229.1102787,3.6,30.5,184,0,1,3,4,17,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-(1-METHYLETHOXY)-N-PHENYL-",000101-73-5,7574,N-phenyl-4-propan-2-yloxyaniline,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C15H17NO/c1-12(2)17-15-10-8-14(9-11-15)16-13-6-4-3-5-7-13/h3-12,16H,1-2H3",CVVFFUKULYKOJR-UHFFFAOYSA-N,C15H17NO,227.3,227.1310142,3.9,21.3,203,0,1,2,4,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N,N-DIPHENYL-",000519-87-9,10615,"N,N-diphenylacetamide",CC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3",DKLYDESVXZKCFI-UHFFFAOYSA-N,C14H13NO,211.26,211.099714,2.7,20.3,209,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-METHYL-N-PHENYL-",000552-82-9,11098,N-methyl-N-phenylaniline,CN(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",DYFFAVRFJWYYQO-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.9,3.2,137,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-METHYL-N-PHENYL-",001205-64-7,14569,3-methyl-N-phenylaniline,CC1=CC(=CC=C1)NC2=CC=CC=C2,"InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3",TWPMMLHBHPYSMT-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.8,12,161,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-[(2-METHYLPHENYL)AMINO]-",006264-98-8,80436,3-(2-methylanilino)phenol,CC1=CC=CC=C1NC2=CC(=CC=C2)O,"InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3",SUHWXARLXCIBFK-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,3.5,32.3,195,0,2,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 2-METHOXY-4-(PHENYLAMINO)-, SULFATE (1:1)",036305-05-2,13643126,4-anilino-2-methoxybenzenediazonium;hydrogen sulfate,COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N.OS(=O)(=O)[O-],"InChI=1S/C13H12N3O.H2O4S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2-9,15H,1H3;(H2,1,2,3,4)/q+1;/p-1",HBDLDBQEQKQUPI-UHFFFAOYSA-M,C13H13N3O5S,323.33,323.0575917,,135,356,0,2,7,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITRODIPHENYLAMINE,000836-30-6,13271,4-nitro-N-phenylaniline,C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H",XXYMSQQCBUKFHE-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,3.7,57.9,226,0,1,3,2,16,190 °C,211 °C AT 30 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DISPERSE YELLOW 9,006373-73-5,4267574,"4-N-(2,4-dinitrophenyl)benzene-1,4-diamine",C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2",JMDHCJDATBJFJS-UHFFFAOYSA-N,C12H10N4O4,274.23,274.0702048,3.1,130,359,0,2,6,2,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONAMIDE, 4-[(4-ETHOXYPHENYL)AMINO]-N,N-DIMETHYL-3-NITRO-",067338-59-4,105414,"4-(4-ethoxyanilino)-N,N-dimethyl-3-nitrobenzenesulfonamide",CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-],"InChI=1S/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3",SIFKXZAVMBSRMB-UHFFFAOYSA-N,C16H19N3O5S,365.4,365.1045419,3.3,113,535,0,1,7,6,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-METHYL-1,1-DIPHENYLUREA",013114-72-2,25711,"3-methyl-1,1-diphenylurea",CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)",IMFYAZJNDOZIFV-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,2.5,32.3,225,0,1,1,2,17,,"397 to 401 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-[(4-ETHOXYPHENYL)AMINO]-3-NITRO-",022025-44-1,89155,4-(4-ethoxyanilino)-3-nitrobenzenesulfonamide,CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-],"InChI=1S/C14H15N3O5S/c1-2-22-11-5-3-10(4-6-11)16-13-8-7-12(23(15,20)21)9-14(13)17(18)19/h3-9,16H,2H2,1H3,(H2,15,20,21)",VNBLMPPORJRWNG-UHFFFAOYSA-N,C14H15N3O5S,337.35,337.0732418,2.7,136,494,0,2,7,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AR-NONYLDIPHENYLAMINE,027177-41-9,10979345,4-nonyl-N-phenylaniline,CCCCCCCCCC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C21H29N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)22-20-13-10-8-11-14-20/h8,10-11,13-18,22H,2-7,9,12H2,1H3",DSGJTSGIIUQSCS-UHFFFAOYSA-N,C21H29N,295.5,295.2299999,7.8,12,249,0,1,1,10,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENAMINE, 4-OCTYL-N-(4-OCTYLPHENYL)-",000101-67-7,7569,4-octyl-N-(4-octylphenyl)aniline,CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC,"InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3",QAPVYZRWKDXNDK-UHFFFAOYSA-N,C28H43N,393.6,393.3395504,11.6,12,315,0,1,1,16,29,"415 °F (NTP, 1992)",,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anthranilic acid, N-(m-fluorophenyl)-",54-59-1,120158,2-(3-fluoroanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)F,"InChI=1S/C13H10FNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)",HYZIDPAMLUKNIR-UHFFFAOYSA-N,C13H10FNO2,231.22,231.0695567,5,49.3,272,0,2,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(p-fluorophenyl)-",54-60-4,120159,2-(4-fluoroanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)F,"InChI=1S/C13H10FNO2/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)",YQDLBCADRCGKQK-UHFFFAOYSA-N,C13H10FNO2,231.22,231.0695567,4.5,49.3,264,0,2,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Toluidine, N-phenyl-alpha,alpha,alpha-trifluoro-",101-23-5,7548,N-phenyl-3-(trifluoromethyl)aniline,C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H",WJCRAVDPIMWFPG-UHFFFAOYSA-N,C13H10F3N,237.22,237.0765338,4.3,12,233,0,1,4,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"p-Phenylenediamine, N-isopropyl-N'-phenyl-",101-72-4,7573,"1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine",CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3",OUBMGJOQLXMSNT-UHFFFAOYSA-N,C15H18N2,226.32,226.1469986,4,24.1,201,0,2,2,4,17,"303 °F (NTP, 1992)","322 °F at 1 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2,4-Benzenetriamine, N(sup 1)-phenyl-",136-17-4,8683,"1-N-phenylbenzene-1,2,4-triamine",C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N,"InChI=1S/C12H13N3/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H,13-14H2",VOSLIUIVGWBSOK-UHFFFAOYSA-N,C12H13N3,199.25,199.1109474,2.1,64.1,189,0,3,3,2,15,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Anthranilic acid, N-2,3-xylyl-, monosodium salt",1804-47-3,23665724,"sodium 2-(2,3-dimethylanilino)benzoate",CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Na+],"InChI=1S/C15H15NO2.Na/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;/h3-9,16H,1-2H3,(H,17,18);/q;+1/p-1",IMCFRCUCBHZBTN-UHFFFAOYSA-M,C15H14NNaO2,263.27,263.092223,,52.2,298,0,1,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-",1/4/81,92190,"4-N-(5-methylhexan-2-yl)-1-N-phenylbenzene-1,4-diamine",CC(C)CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3",UHJVLUYSDYOULM-UHFFFAOYSA-N,C19H26N2,282.4,282.2095988,5.9,24.1,263,0,2,2,7,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,1,0,0
"Anthranilic acid, N-o-nitrophenyl-",5933-35-7,101319,2-(2-nitroanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2[N+](=O)[O-],"InChI=1S/C13H10N2O4/c16-13(17)9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15(18)19/h1-8,14H,(H,16,17)",FJNZXTAFUISVCI-UHFFFAOYSA-N,C13H10N2O4,258.23,258.0640568,4.6,95.2,342,0,2,5,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Anthranilic acid, N-(4-methoxyphenyl)-",13501-67-2,202918,2-(4-methoxyanilino)benzoic acid,COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)",AOTGWRVCPVLSPA-UHFFFAOYSA-N,C14H13NO3,243.26,243.0895433,4.3,58.6,274,0,2,4,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzenediamine, N-(1-methylheptyl)-N'-phenyl-",15233-47-3,85821,"4-N-octan-2-yl-1-N-phenylbenzene-1,4-diamine",CCCCCCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2,"InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3",JQTYAZKTBXWQOM-UHFFFAOYSA-N,C20H28N2,296.4,296.2252489,6.8,24.1,265,0,2,2,9,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monopotassium salt",15307-81-0,23667642,"potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate",C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[K+],"InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1",KXZOIWWTXOCYKR-UHFFFAOYSA-M,C14H10Cl2KNO2,334.2,332.9725654,,52.2,310,0,1,3,4,20,,,0,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"Anthranilic acid, N-(m-tolyl)-",16524-22-4,85472,2-(3-methylanilino)benzoic acid,CC1=CC(=CC=C1)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H13NO2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)",JODCQKTVDXZQEP-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,4.7,49.3,267,0,2,3,3,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(p-tolyl)-",16524-23-5,152155,2-(4-methylanilino)benzoic acid,CC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H13NO2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)",DEFSEYPSVLNHBM-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,4.7,49.3,259,0,2,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-m-nitrophenyl-",27693-70-5,101403,2-(3-nitroanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)[N+](=O)[O-],"InChI=1S/C13H10N2O4/c16-13(17)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)15(18)19/h1-8,14H,(H,16,17)",NBJRFLIUYUFOIR-UHFFFAOYSA-N,C13H10N2O4,258.23,258.0640568,4.6,95.2,342,0,2,5,3,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(3-methoxyphenyl)-",27693-73-8,119702,2-(3-methoxyanilino)benzoic acid,COC1=CC=CC(=C1)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)",SSRGDXQQJKAWKX-UHFFFAOYSA-N,C14H13NO3,243.26,243.0895433,4.6,58.6,282,0,2,4,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-(p-((difluoromethyl)thio)phenyl)-",51679-50-6,2060602,2-[4-(difluoromethylsulfanyl)anilino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)SC(F)F,"InChI=1S/C14H11F2NO2S/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)",KQEFJYIAABWDRN-UHFFFAOYSA-N,C14H11F2NO2S,295.31,295.0478561,5.8,74.6,322,0,2,6,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-",57729-86-9,162838,"2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline",C1=C(C=C(C(=C1C(F)(F)F)NC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C13H5Br3F3N3O4/c14-5-1-8(15)12(9(16)2-5)20-11-7(13(17,18)19)3-6(21(23)24)4-10(11)22(25)26/h1-4,20H",INVHIPJJDSPNJY-UHFFFAOYSA-N,C13H5Br3F3N3O4,563.9,562.77618,6.6,104,533,0,1,8,2,26,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (o-(2,6-dichloro-4-hydroxyanilino)phenyl)-",64118-84-9,116545,"2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid",C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl,"InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)",KGVXVPRLBMWZLG-UHFFFAOYSA-N,C14H11Cl2NO3,312.1,311.0115986,3.7,69.6,330,0,3,4,4,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)-",69002-84-2,3052566,"2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid",C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl,"InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)",VNQURRWYKFZKJZ-UHFFFAOYSA-N,C14H11Cl2NO3,312.1,311.0115986,3.9,69.6,332,0,3,4,4,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-(2,6-dichloro-4-hydroxyanilino)-5-hydroxyphenyl)-",69002-86-4,3052567,"2-[2-(2,6-dichloro-4-hydroxyanilino)-5-hydroxyphenyl]acetic acid",C1=CC(=C(C=C1O)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl,"InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21)",DRZFITWJHHNHAD-UHFFFAOYSA-N,C14H11Cl2NO4,328.1,327.0065132,3.6,89.8,359,0,4,5,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, compd. with N-ethylethanamine (1:1)",78213-16-8,115087,"2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-ethylethanamine",CCNCC.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,"InChI=1S/C14H11Cl2NO2.C4H11N/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-5-4-2/h1-7,17H,8H2,(H,18,19);5H,3-4H2,1-2H3",ZQVZPANTCLRASL-UHFFFAOYSA-N,C18H22Cl2N2O2,369.3,368.1058333,,61.4,315,0,3,4,6,24,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, carboxymethyl ester",89796-99-6,71771,"2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid",C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",MNIPYSSQXLZQLJ-UHFFFAOYSA-N,C16H13Cl2NO4,354.2,353.0221633,4.3,75.6,411,0,2,5,7,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-((4-amino-2-nitrophenyl)amino)-",117907-43-4,9860314,2-(4-amino-2-nitroanilino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)N)[N+](=O)[O-],"InChI=1S/C13H11N3O4/c14-8-5-6-11(12(7-8)16(19)20)15-10-4-2-1-3-9(10)13(17)18/h1-7,15H,14H2,(H,17,18)",YESOPQNVGIQNEV-UHFFFAOYSA-N,C13H11N3O4,273.24,273.0749558,3.9,121,371,0,3,6,3,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzeneacetic acid, 2-((2-chloro-6-fluorophenyl)amino)-5-methyl-",220991-20-8,151166,2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid,CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",KHPKQFYUPIUARC-UHFFFAOYSA-N,C15H13ClFNO2,293.72,293.0618845,4.2,49.3,342,0,2,4,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-chloro-2-(phenylamino)-",,615334,2-anilino-4-chlorobenzoic acid,C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O,"InChI=1S/C13H10ClNO2/c14-9-6-7-11(13(16)17)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)",MTIKNMBLKUFLKL-UHFFFAOYSA-N,C13H10ClNO2,247.67,247.0400063,5.6,49.3,266,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZIMIDAZOLE, 5-CHLORO-1-ETHYL-2-METHYL-",002818-76-0,76064,5-chloro-1-ethyl-2-methylbenzimidazole,CCN1C(=NC2=C1C=CC(=C2)Cl)C,"InChI=1S/C10H11ClN2/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13/h4-6H,3H2,1-2H3",WOUUWYXDNDKIGX-UHFFFAOYSA-N,C10H11ClN2,194.66,194.0610761,2.8,17.8,186,0,0,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 5,6-DICHLORO-1-ETHYL-2-METHYL-",003237-62-5,76717,"5,6-dichloro-1-ethyl-2-methylbenzimidazole",CCN1C(=NC2=CC(=C(C=C21)Cl)Cl)C,"InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3",IVVLMQPTQOLYDX-UHFFFAOYSA-N,C10H10Cl2N2,229.1,228.0221037,3.4,17.8,212,0,0,1,1,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,6-DIMETHYL-2-TRIFLUOROMETHYLBENZIMIDAZOLE",001799-79-7,15725,"5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole",CC1=CC2=C(C=C1C)N=C(N2)C(F)(F)F,"InChI=1S/C10H9F3N2/c1-5-3-7-8(4-6(5)2)15-9(14-7)10(11,12)13/h3-4H,1-2H3,(H,14,15)",TWDHFGXLFNUIKC-UHFFFAOYSA-N,C10H9F3N2,214.19,214.0717828,3.4,28.7,241,0,1,4,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochlo",003543-75-7,77082,4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride,CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl,"InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H",ZHSKUOZOLHMKEA-UHFFFAOYSA-N,C16H22Cl3N3O2,394.7,393.07776,,58.4,380,0,2,4,9,24,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
2-METHYL-1H-BENZIMIDAZOLE,000615-15-6,11984,2-methyl-1H-benzimidazole,CC1=NC2=CC=CC=C2N1,"InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)",LDZYRENCLPUXAX-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,2.2,28.7,124,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-1H-BENZIMIDAZOLE,001632-83-3,95890,1-methylbenzimidazole,CN1C=NC2=CC=CC=C21,"InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3",FGYADSCZTQOAFK-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,1.4,17.8,124,0,0,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 5-CHLORO-2-METHYL-",002818-69-1,76063,6-chloro-2-methyl-1H-benzimidazole,CC1=NC2=C(N1)C=C(C=C2)Cl,"InChI=1S/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)",NICFDLORAOTXMD-UHFFFAOYSA-N,C8H7ClN2,166.61,166.0297759,2.7,28.7,151,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZIMIDAZOLE,000051-17-2,5798,1H-benzimidazole,C1=CC=C2C(=C1)NC=N2,"InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)",HYZJCKYKOHLVJF-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.3,28.7,103,0,1,1,0,9,,"greater than 680 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,6-DIMETHYLBENZIMIDAZOLE",000582-60-5,675,"5,6-dimethyl-1H-benzimidazole",CC1=CC2=C(C=C1C)N=CN2,"InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",LJUQGASMPRMWIW-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,2.4,28.7,146,0,1,1,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROMETHYLBENZIMIDAZOLE,004857-04-9,78571,2-(chloromethyl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)CCl,"InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)",SPMLMLQATWNZEE-UHFFFAOYSA-N,C8H7ClN2,166.61,166.0297759,2.2,28.7,140,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-BENZIMIDAZOL-2-AMINE,000934-32-7,13624,1H-benzimidazol-2-amine,C1=CC=C2C(=C1)NC(=N2)N,"InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)",JWYUFVNJZUSCSM-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,0.9,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-BENZIMIDAZOLE-2-ACETONITRILE, 1-METHYL-",002735-62-8,75953,2-(1-methylbenzimidazol-2-yl)acetonitrile,CN1C2=CC=CC=C2N=C1CC#N,"InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3",DYWFJPNNNWXOAK-UHFFFAOYSA-N,C10H9N3,171.2,171.0796473,1.1,41.6,230,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-BENZIMIDAZOLE-2-ACETONITRILE,004414-88-4,20455,2-(1H-benzimidazol-2-yl)acetonitrile,C1=CC=C2C(=C1)NC(=N2)CC#N,"InChI=1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)",BWOVACANEIVHST-UHFFFAOYSA-N,C9H7N3,157.17,157.0639972,1.4,52.5,205,0,1,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOL-2-AMINE, 5-CHLORO-",005418-93-9,21527,6-chloro-1H-benzimidazol-2-amine,C1=CC2=C(C=C1Cl)NC(=N2)N,"InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)",PDOCNPCPPLPXRV-UHFFFAOYSA-N,C7H6ClN3,167.59,167.0250249,1.9,54.7,153,0,2,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolecarbamic acid, 5-butyl-, methyl ester",014255-87-9,26596,methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate,CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,"InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)",YRWLZFXJFBZBEY-UHFFFAOYSA-N,C13H17N3O2,247.29,247.1320768,3.4,67,285,0,2,3,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-BENZIMIDAZOLESULFONIC ACID, 2-[7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL]",070267-73-1,1572160,1H-benzimidazole-2-sulfonic acid,C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O,"InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)",GWXQTTKUYBEZBP-UHFFFAOYSA-N,C7H6N2O3S,198.2,198.0099132,0.3,91.4,285,0,2,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, (5-(propylthio)-1H-benzimidazol-2-yl)-, methyl ester",054965-21-8,2082,methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate,CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",HXHWSAZORRCQMX-UHFFFAOYSA-N,C12H15N3O2S,265.33,265.0884979,2.9,92.3,290,0,2,4,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
5-NITROBENZIMIDAZOLE,000094-52-0,7195,6-nitro-1H-benzimidazole,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,"InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)",XPAZGLFMMUODDK-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,1.6,74.5,192,0,1,3,0,12,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(ALLYLTHIO)BENZIMIDAZOLE,051389-04-9,1605100,2-prop-2-enylsulfanyl-1H-benzimidazole,C=CCSC1=NC2=CC=CC=C2N1,"InChI=1S/C10H10N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h2-6H,1,7H2,(H,11,12)",JHJHDEZWUNCTQO-UHFFFAOYSA-N,C10H10N2S,190.27,190.0564695,2.7,54,184,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-GUANIDINOBENZIMIDAZOLE,005418-95-1,36149,2-(1H-benzimidazol-2-yl)guanidine,C1=CC=C2C(=C1)NC(=N2)N=C(N)N,"InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)",JJWCTKUQWXYIIU-UHFFFAOYSA-N,C8H9N5,175.19,175.0857953,0.1,93.1,211,0,3,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYLBENZIMIDAZOLE,000614-97-1,11979,6-methyl-1H-benzimidazole,CC1=CC2=C(C=C1)N=CN2,"InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",RWXZXCZBMQPOBF-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,1.7,28.7,124,0,1,1,0,10,,169-172 °C at 1.00E+00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXY-1H-BENZIMIDAZOLE,004887-80-3,78598,6-methoxy-1H-benzimidazole,COC1=CC2=C(C=C1)N=CN2,"InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",ILMHAGCURJPNRZ-UHFFFAOYSA-N,C8H8N2O,148.16,148.0636629,1.8,37.9,140,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 2-METHYL-, MONOHYDROCHLORIDE",001653-75-4,80288,2-methyl-1H-benzimidazole;hydrochloride,CC1=NC2=CC=CC=C2N1.Cl,"InChI=1S/C8H8N2.ClH/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3,(H,9,10);1H",WKFYYUYQBPMMAF-UHFFFAOYSA-N,C8H9ClN2,168.62,168.045426,,28.7,124,0,2,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 2-CHLORO-",004857-06-1,78572,2-chloro-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)Cl,"InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)",AYPSHJCKSDNETA-UHFFFAOYSA-N,C7H5ClN2,152.58,152.0141259,2.2,28.7,129,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 2-HEPTADECYL-",005805-27-6,79868,2-heptadecyl-1H-benzimidazole,CCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2N1,"InChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20H,2-16,21H2,1H3,(H,25,26)",HBTSVVOLHPRTJA-UHFFFAOYSA-N,C24H40N2,356.6,356.3191493,10.1,28.7,317,0,1,1,16,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetamide, N-(2-benzimidazolyl)-",021202-05-1,167972,N-(1H-benzimidazol-2-yl)acetamide,CC(=O)NC1=NC2=CC=CC=C2N1,"InChI=1S/C9H9N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H,1H3,(H2,10,11,12,13)",BECUBVOEPSAYDH-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1.1,57.8,207,0,2,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 5-NITRO-, MONONITRATE",027896-84-0,119743,nitric acid;6-nitro-1H-benzimidazole,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2.[N+](=O)(O)[O-],"InChI=1S/C7H5N3O2.HNO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);(H,2,3,4)",ZUZQXHSOEZUAIS-UHFFFAOYSA-N,C7H6N4O5,226.15,226.0338193,,141,216,0,2,6,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolecarbamic acid, 5-(propylsulfonyl)-, methyl ester",075184-71-3,53174,methyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate,CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC,"InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",CLSJYOLYMZNKJB-UHFFFAOYSA-N,C12H15N3O4S,297.33,297.0783271,1.6,110,448,0,2,5,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
1-(BUTYLCARBAMOYL)-2-BENZIMIDAZOLE-CARBAMATE,017804-35-2,28780,methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate,CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC,"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",RIOXQFHNBCKOKP-UHFFFAOYSA-N,C14H18N4O3,290.32,290.1378905,2.1,85.3,377,0,2,4,5,21,,"Decomposes (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,1,1,0,1
CARBENDAZIME,010605-21-7,25429,methyl N-(1H-benzimidazol-2-yl)carbamate,COC(=O)NC1=NC2=CC=CC=C2N1,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX-UHFFFAOYSA-N,C9H9N3O2,191.19,191.0694765,1.5,67,222,0,2,3,2,14,,,1,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,1,0,0
1H-BENZIMIDAZOLE-2-PENTANAMINE,039650-63-0,162387,5-(1H-benzimidazol-2-yl)pentan-1-amine,C1=CC=C2C(=C1)NC(=N2)CCCCCN,"InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)",XTJRXHPNZGDOGE-UHFFFAOYSA-N,C12H17N3,203.28,203.1422476,1.7,54.7,184,0,2,2,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzimidazole, 2-trifluoromethyl-",312-73-2,67560,2-(trifluoromethyl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)C(F)(F)F,"InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)",MXFMPTXDHSDMTI-UHFFFAOYSA-N,C8H5F3N2,186.13,186.0404827,2.7,28.7,192,0,1,4,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 5-nitro-2-(trifluoromethyl)-",327-19-5,67595,6-nitro-2-(trifluoromethyl)-1H-benzimidazole,C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(F)(F)F,"InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-2-1-4(14(15)16)3-6(5)13-7/h1-3H,(H,12,13)",FEJRBJIEEALTTL-UHFFFAOYSA-N,C8H4F3N3O2,231.13,231.0255609,2.7,74.5,291,0,1,6,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzimidazole, 5-methyl-2-(trifluoromethyl)-",399-77-9,120229,6-methyl-2-(trifluoromethyl)-1H-benzimidazole,CC1=CC2=C(C=C1)N=C(N2)C(F)(F)F,"InChI=1S/C9H7F3N2/c1-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)",OLLDPPSRICPSTA-UHFFFAOYSA-N,C9H7F3N2,200.16,200.0561327,2.8,28.7,217,0,1,4,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 5-amino-",934-22-5,13623,3H-benzimidazol-5-amine,C1=CC2=C(C=C1N)NC=N2,"InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)",WFRXSXUDWCVSPI-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.1,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Benzimidazol-2-amine, 1-methyl-",1622-57-7,74187,1-methylbenzimidazol-2-amine,CN1C2=CC=CC=C2N=C1N,"InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)",XDFZKQJLNGNJAN-UHFFFAOYSA-N,C8H9N3,147.18,147.0796473,0.9,43.8,148,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-methyl-5-nitro-",1792-40-1,74524,2-methyl-6-nitro-1H-benzimidazole,CC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)",RKRXTVLCZDPERO-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,1.9,74.5,216,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-ethyl-",1848-84-6,15807,2-ethyl-1H-benzimidazole,CCC1=NC2=CC=CC=C2N1,"InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)",QHCCOYAKYCWDOJ-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,2.1,28.7,136,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Benzimidazolepropanol,2403-66-9,75470,3-(1H-benzimidazol-2-yl)propan-1-ol,C1=CC=C2C(=C1)NC(=N2)CCCO,"InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)",CQFSGSFSOWEIGO-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1.2,48.9,163,0,2,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 1-(1-methyl-2-benzimidazolyl)-",3319-28-6,97831,1-(1-methylbenzimidazol-2-yl)ethanol,CC(C1=NC2=CC=CC=C2N1C)O,"InChI=1S/C10H12N2O/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)2/h3-7,13H,1-2H3",HXNWGBPRRHESCL-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1,38.1,186,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-trichloromethyl-",3584-65-4,77133,2-(trichloromethyl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)C(Cl)(Cl)Cl,"InChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)",ZVFSYTFFWGYEMM-UHFFFAOYSA-N,C8H5Cl3N2,235.5,233.951831,3.4,28.7,192,0,1,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 5-bromo-2-(trifluoromethyl)-",3671-60-1,19343,6-bromo-2-(trifluoromethyl)-1H-benzimidazole,C1=CC2=C(C=C1Br)NC(=N2)C(F)(F)F,"InChI=1S/C8H4BrF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)",FKSDCMMCSWXZLS-UHFFFAOYSA-N,C8H4BrF3N2,265.03,263.951,3.6,28.7,221,0,1,4,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 5-amino-2-(trifluoromethyl)-",3671-66-7,19345,2-(trifluoromethyl)-3H-benzimidazol-5-amine,C1=CC2=C(C=C1N)NC(=N2)C(F)(F)F,"InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)",CKEKFQLHCAZGSP-UHFFFAOYSA-N,C8H6F3N3,201.15,201.0513817,2.2,54.7,218,0,2,5,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 4-amino-",4331-29-7,20329,1H-benzimidazol-4-amine,C1=CC(=C2C(=C1)NC=N2)N,"InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)",NZJKEQFPRPAEPO-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,0.8,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-benzimidazolylthio-, ethyl ester",5429-62-9,21564,ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate,CCOC(=O)CSC1=NC2=CC=CC=C2N1,"InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,12,13)",TZMSMSYMMHOSOE-UHFFFAOYSA-N,C11H12N2O2S,236.29,236.0619488,2.4,80.3,250,0,1,4,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-propyl-",5465-29-2,21624,2-propyl-1H-benzimidazole,CCCC1=NC2=CC=CC=C2N1,"InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)",FBLJZPQLNMVEMR-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,2.5,28.7,147,0,1,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-isopropyl-",5851-43-4,22121,2-propan-2-yl-1H-benzimidazole,CC(C)C1=NC2=CC=CC=C2N1,"InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)",RITUGMAIQCZEOG-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,2.9,28.7,156,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-butyl-",5851-44-5,22122,2-butyl-1H-benzimidazole,CCCCC1=NC2=CC=CC=C2N1,"InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)",HITWHALOZBMLHY-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,3,28.7,158,0,1,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazol-2-amine, 5-methyl-",6285-68-3,80495,6-methyl-1H-benzimidazol-2-amine,CC1=CC2=C(C=C1)N=C(N2)N,"InChI=1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)",MZZZAWDOYQWKMR-UHFFFAOYSA-N,C8H9N3,147.18,147.0796473,1.1,54.7,148,0,2,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Benzimidazoleacetic acid,13570-08-6,26117,2-(1H-benzimidazol-2-yl)acetic acid,C1=CC=C2C(=C1)NC(=N2)CC(=O)O,"InChI=1S/C9H8N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H,12,13)",GFTPLFVZKMIYAP-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,1.2,66,208,0,2,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 2-(ethylthio)-",14610-11-8,720878,2-ethylsulfanyl-1H-benzimidazole,CCSC1=NC2=CC=CC=C2N1,"InChI=1S/C9H10N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)",UGCOPUIBNABIEP-UHFFFAOYSA-N,C9H10N2S,178.26,178.0564695,2.5,54,151,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-",16506-27-7,65628,4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid,CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O,"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)",YTKUWDBFDASYHO-UHFFFAOYSA-N,C16H21Cl2N3O2,358.3,357.1010823,2.9,58.4,380,0,1,4,9,23,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Ethanol, 1-(2-benzimidazolyl)-",19018-24-7,205922,1-(1H-benzimidazol-2-yl)ethanol,CC(C1=NC2=CC=CC=C2N1)O,"InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)",XZHWEHOSQYNGOL-UHFFFAOYSA-N,C9H10N2O,162.19,162.0793129,1.3,48.9,163,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(2-benzimidazolyl)-",23249-97-0,65708,3-(1H-benzimidazol-2-yl)propanoic acid,C1=CC=C2C(=C1)NC(=N2)CCC(=O)O,"InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)",XYWJNTOURDMTPI-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,1.1,66,220,0,2,3,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 2-tert-butyl-",24425-13-6,32366,2-tert-butyl-1H-benzimidazole,CC(C)(C)C1=NC2=CC=CC=C2N1,"InChI=1S/C11H14N2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)",ZQWHWRQRGKZTSE-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,3.5,28.7,183,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazol-2-amine, 1,5-dimethyl-",39860-12-3,94499,"1,5-dimethylbenzimidazol-2-amine",CC1=CC2=C(C=C1)N(C(=N2)N)C,"InChI=1S/C9H11N3/c1-6-3-4-8-7(5-6)11-9(10)12(8)2/h3-5H,1-2H3,(H2,10,11)",VJDQEQWPZTVEIN-UHFFFAOYSA-N,C9H11N3,161.2,161.0952974,1.5,43.8,171,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, 5-nitro-1H-benzimidazol-2-yl-",41926-59-4,3246448,2-(6-nitro-1H-benzimidazol-2-yl)guanidine,C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N=C(N)N,"InChI=1S/C8H8N6O2/c9-7(10)13-8-11-5-2-1-4(14(15)16)3-6(5)12-8/h1-3H,(H5,9,10,11,12,13)",NAGIDXZSUSERRK-UHFFFAOYSA-N,C8H8N6O2,220.19,220.0708735,0.1,139,310,0,3,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (5-(propylsulfinyl)-1H-benzimidazol-2-yl)-, methyl ester",54029-12-8,83969,methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate,CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC,"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",VXTGHWHFYNYFFV-UHFFFAOYSA-N,C12H15N3O3S,281.33,281.0834125,1.4,103,353,0,2,5,5,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,1
"Benzimidazole, 1-(2-aminoethyl)-",55661-34-2,41504,2-(benzimidazol-1-yl)ethanamine,C1=CC=C2C(=C1)N=CN2CCN,"InChI=1S/C9H11N3/c10-5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6,10H2",LXZGUUDIJIOTJB-UHFFFAOYSA-N,C9H11N3,161.2,161.0952974,0.4,43.8,149,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-5-acetic acid, monohydrochloride",62468-12-6,3046610,2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride,C1=CC2=C(C=C1CC(=O)O)NC=N2.Cl,"InChI=1S/C9H8N2O2.ClH/c12-9(13)4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4H2,(H,10,11)(H,12,13);1H",YKGBJBDUKMJDOH-UHFFFAOYSA-N,C9H9ClN2O2,212.63,212.0352552,,66,208,0,3,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-5-carbonitrile, 2-amino-",63655-40-3,113400,2-amino-3H-benzimidazole-5-carbonitrile,C1=CC2=C(C=C1C#N)NC(=N2)N,"InChI=1S/C8H6N4/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-3H,(H3,10,11,12)",PNMKRBOIMTZVLQ-UHFFFAOYSA-N,C8H6N4,158.16,158.0592462,1.1,78.5,218,0,2,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 5-amino-1-ethyl-2-methyl-, dihydrochloride",73688-69-4,517533,1-ethyl-2-methylbenzimidazol-5-amine;dihydrochloride,CCN1C(=NC2=C1C=CC(=C2)N)C.Cl.Cl,"InChI=1S/C10H13N3.2ClH/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13;;/h4-6H,3,11H2,1-2H3;2*1H",QFDZWBFEBAPLOT-UHFFFAOYSA-N,C10H15Cl2N3,248.15,247.0643029,,43.8,183,0,3,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester",89457-09-0,55971,ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate,CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F,"InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-3-4-7-8(5-6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)",WOQXCSGTWFKUSU-UHFFFAOYSA-N,C11H9F3N2O2,258.2,258.061612,3.1,55,322,0,1,6,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazol-2-amine, 5-chloro-1-methyl-",103748-25-0,113622,5-chloro-1-methylbenzimidazol-2-amine,CN1C2=C(C=C(C=C2)Cl)N=C1N,"InChI=1S/C8H8ClN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)",QZDYOBDSZXQLIW-UHFFFAOYSA-N,C8H8ClN3,181.62,181.040675,2.1,43.8,176,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-5-carbonitrile, 2-amino-1-methyl-",141691-41-0,154534,2-amino-1-methylbenzimidazole-5-carbonitrile,CN1C2=C(C=C(C=C2)C#N)N=C1N,"InChI=1S/C9H8N4/c1-13-8-3-2-6(5-10)4-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)",VWOBVMUYALAJKO-UHFFFAOYSA-N,C9H8N4,172.19,172.0748963,1.1,67.6,243,0,1,3,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-6-carbonitrile, 2-amino-1-methyl-",141691-42-1,154535,2-amino-3-methylbenzimidazole-5-carbonitrile,CN1C2=C(C=CC(=C2)C#N)N=C1N,"InChI=1S/C9H8N4/c1-13-8-4-6(5-10)2-3-7(8)12-9(13)11/h2-4H,1H3,(H2,11,12)",CNGVAAVGGINQTB-UHFFFAOYSA-N,C9H8N4,172.19,172.0748963,1.3,67.6,243,0,1,3,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-5-carbonitrile, 2-(1-hydroxy-1-methylethyl)-6-(trifluoromethyl)-",,223906,3H-benzimidazole-5-carbonitrile,C1=CC2=C(C=C1C#N)NC=N2,"InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)",NICYTXJGZRYCEQ-UHFFFAOYSA-N,C8H5N3,143.15,143.0483472,1.5,52.5,193,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-2-carboxamide, N-((1R)-2-(((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)amino)-2-oxo-1-(4-thiazolylmethyl)ethyl)-",,445686,1H-benzimidazole-2-carboxamide,C1=CC=C2C(=C1)NC(=N2)C(=O)N,"InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)",XIZCDQOKKYYCRH-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,0.5,71.8,195,0,2,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Benzimidazole-5-carboxylic acid, 3-((1R)-1-(aminocarbonyl)-4-((aminoiminomethyl)amino)butyl)-2-(4-hydroxyphenyl)-",,459456,3H-benzimidazole-5-carboxylic acid,C1=CC2=C(C=C1C(=O)O)NC=N2,"InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)",COYPLDIXZODDDL-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.3,66,195,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-2-methanol, alpha-((butylthio)methyl)-5,6-dichloro-alpha,1-dimethyl-",,78569,1H-benzimidazol-2-ylmethanol,C1=CC=C2C(=C1)NC(=N2)CO,"InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)",IAJLTMBBAVVMQO-UHFFFAOYSA-N,C8H8N2O,148.16,148.0636629,0.9,48.9,140,0,2,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIMETHYLPIPERAZINE",000106-58-1,7818,"1,4-dimethylpiperazine",CN1CCN(CC1)C,"InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3",RXYPXQSKLGGKOL-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.4,6.5,54,0,0,2,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
1-METHYLPIPERAZINE,000109-01-3,53167,1-methylpiperazine,CN1CCNCC1,"InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3",PVOAHINGSUIXLS-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.4,15.3,48,0,1,2,0,7,,,0,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
1-ETHYLPIPERAZINE,005308-25-8,79196,1-ethylpiperazine,CCN1CCNCC1,"InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3",WGCYRFWNGRMRJA-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0,15.3,57,0,1,2,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
1-ALLYLPIPERAZINE,013961-36-9,806422,1-prop-2-enylpiperazine,C=CCN1CCNCC1,"InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2",ZWAQJGHGPPDZSF-UHFFFAOYSA-N,C7H14N2,126.2,126.1156985,0.3,15.3,84,0,1,2,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-METHYLPIPERAZINE,000109-07-9,66057,2-methylpiperazine,CC1CNCCN1,"InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3",JOMNTHCQHJPVAZ-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.4,24.1,54,0,2,2,0,7,,,0,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
(S)-2-METHYLPIPERAZINE,074879-18-8,2734219,(2S)-2-methylpiperazine,C[C@H]1CNCCN1,"InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1",JOMNTHCQHJPVAZ-YFKPBYRVSA-N,C5H12N2,100.16,100.1000484,-0.4,24.1,54,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"PIPERAZINE, 2,5-DIMETHYL-",000106-55-8,7816,"2,5-dimethylpiperazine",CC1CNC(CN1)C,"InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3",NSMWYRLQHIXVAP-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0,24.1,62,0,2,2,0,8,,,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"PIPERAZINE, 2,6-DIMETHYL-",000108-49-6,66056,"2,6-dimethylpiperazine",CC1CNCC(N1)C,"InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3",IFNWESYYDINUHV-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0,24.1,64,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
HEPPSO,068399-78-0,100205,2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid,C1CN(CCN1CCO)CC(CS(=O)(=O)O)O,"InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)",GIZQLVPDAOBAFN-UHFFFAOYSA-N,C9H20N2O5S,268.33,268.1092929,-4.6,110,308,0,3,7,6,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,4-TRIMETHYLPIPERAZINE-1-ETHYLAMINE",000104-19-8,66908,"N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine",CN1CCN(CC1)CCN(C)C,"InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3",XFLSMWXCZBIXLV-UHFFFAOYSA-N,C9H21N3,171.28,171.1735477,0.1,9.7,117,0,0,3,3,12,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Piperazine, 1,4-dinitroso-",000140-79-4,8819,"1,4-dinitrosopiperazine",C1CN(CCN1N=O)N=O,InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2,WNSYEWGYAFFSSQ-UHFFFAOYSA-N,C4H8N4O2,144.13,144.0647255,-0.8,65.3,115,0,0,6,0,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL 2,2-DIMETHYLPIPERAZINE-1-CARBOXYLATE",674792-07-5,29922400,"tert-butyl 2,2-dimethylpiperazine-1-carboxylate",CC1(CNCCN1C(=O)OC(C)(C)C)C,"InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3",DVMUNQAGXAMHOR-UHFFFAOYSA-N,C11H22N2O2,214.3,214.1681279,1.1,41.6,243,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PIPERAZINE, 1,2,4-TRIMETHYL-",000120-85-4,98933,"1,2,4-trimethylpiperazine",CC1CN(CCN1C)C,"InChI=1S/C7H16N2/c1-7-6-8(2)4-5-9(7)3/h7H,4-6H2,1-3H3",UAIVFDJJMVMUGY-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.5,6.5,92,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERAZINECARBOXAMIDE, N,N-DIETHYL-4-METHYL-, 2-HYDROXY-1,2,3-PROPANETRICARB",001642-54-2,15432,"N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid",CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",PGNKBEARDDELNB-UHFFFAOYSA-N,C16H29N3O8,391.42,391.1954649,,159,411,0,4,9,7,27,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-PIPERAZINEDIPROPANENITRILE",004159-11-9,77808,3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile,C1CN(CCN1CCC#N)CCC#N,"InChI=1S/C10H16N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-2,5-10H2",QXQYJEMSNUMUPO-UHFFFAOYSA-N,C10H16N4,192.26,192.1374965,-0.5,54.1,220,0,0,4,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-PIPERAZINEDIPROPANAMINE",007209-38-3,81629,3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine,C1CN(CCN1CCCN)CCCN,InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2,XUSNPFGLKGCWGN-UHFFFAOYSA-N,C10H24N4,200.32,200.2000968,-1.4,58.5,116,0,2,4,6,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-PIPERAZINECARBOXALDEHYDE,007755-92-2,82191,piperazine-1-carbaldehyde,C1CN(CCN1)C=O,"InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2",MSSDTZLYNMFTKN-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.9,32.3,78,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PIPERAZINYLETHYLETHYLENEDIAMINE,024028-46-4,90347,"N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine",C1CN(CCN1)CCNCCN,"InChI=1S/C8H20N4/c9-1-2-10-3-6-12-7-4-11-5-8-12/h10-11H,1-9H2",WBIWIXJUBVWKLS-UHFFFAOYSA-N,C8H20N4,172.27,172.1687967,-1.8,53.3,101,0,3,4,5,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"TERT-BUTYL (2R,6S)-2,6-DIMETHYLPIPERAZINE-1-CARBOXYLATE",180975-66-0,21021901,"tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate",C[C@@H]1CNC[C@@H](N1C(=O)OC(C)(C)C)C,"InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+",RBOGBIZGALIITO-DTORHVGOSA-N,C11H22N2O2,214.3,214.1681279,1.3,41.6,225,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinecarboxamide, N,N-diethyl-4-methyl-",000090-89-1,3052,"N,N-diethyl-4-methylpiperazine-1-carboxamide",CCN(CC)C(=O)N1CCN(CC1)C,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",RCKMWOKWVGPNJF-UHFFFAOYSA-N,C10H21N3O,199.29,199.1684623,0.3,26.8,184,0,0,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PIPERAZINECARBOXYLIC ACID, ETHYL ESTER",000120-43-4,8431,ethyl piperazine-1-carboxylate,CCOC(=O)N1CCNCC1,"InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3",LNOQURRKNJKKBU-UHFFFAOYSA-N,C7H14N2O2,158.2,158.1055277,-0.2,41.6,132,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIFORINE,026644-46-2,33565,"N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide",C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O,"InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)",RROQIUMZODEXOR-UHFFFAOYSA-N,C10H14Cl6N4O2,435,433.921842,2.8,64.7,345,0,2,4,4,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-PIPERAZINEDIETHANAMINE, N-(2-AMINOETHYL)-",031295-54-2,161703,"N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine",C1CN(CCN1CCN)CCNCCN,"InChI=1S/C10H25N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,1-12H2",CXNQJNPKMZRHBC-UHFFFAOYSA-N,C10H25N5,215.34,215.2109958,-2.2,70.6,145,0,3,5,7,15,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
N-AMINOETHYLPIPERAZINE,000140-31-8,8795,2-piperazin-1-ylethanamine,C1CN(CCN1)CCN,"InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2",IMUDHTPIFIBORV-UHFFFAOYSA-N,C6H15N3,129.2,129.1265975,-1.3,41.3,68,0,2,3,2,9,"200 °F (USCG, 1999)","428 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
PIPERAZINE HEXAHYDRATE,000142-63-2,120181,piperazine;hexahydrate,C1CNCCN1.O.O.O.O.O.O,"InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2",AVRVZRUEXIEGMP-UHFFFAOYSA-N,C4H22N2O6,194.23,194.1477864,,30.1,26,0,8,8,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"1-PIPERAZINEPROPANAMINE, 4-METHYL-",004572-03-6,78328,3-(4-methylpiperazin-1-yl)propan-1-amine,CN1CCN(CC1)CCCN,"InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3",RGUABPVONIGVAT-UHFFFAOYSA-N,C8H19N3,157.26,157.1578976,-0.8,32.5,97,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PIPERAZINEETHANOL,025154-38-5,91308,2-piperazin-2-ylethanol,C1CNC(CN1)CCO,"InChI=1S/C6H14N2O/c9-4-1-6-5-7-2-3-8-6/h6-9H,1-5H2",DSSFSAGQNGRBOR-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,-1.1,44.3,77,0,3,3,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, N,N-DIMETHYL(4-METHYL-1-PIPERAZINYL)-",029589-40-0,122416,N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethanamine,CCN(C)CN1CCN(CC1)C,"InChI=1S/C9H21N3/c1-4-10(2)9-12-7-5-11(3)6-8-12/h4-9H2,1-3H3",LPSQYUPNPBUYKQ-UHFFFAOYSA-N,C9H21N3,171.28,171.1735477,0.6,9.7,119,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
PIPERAZINE,000110-85-0,4837,piperazine,C1CNCCN1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",GLUUGHFHXGJENI-UHFFFAOYSA-N,C4H10N2,86.14,86.08439833,-1.5,24.1,26,0,2,2,0,6,"190 °F (NTP, 1992)","295 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"HEXANEDIOIC ACID, COMPD. WITH PIPERAZINE (1:1)",000142-88-1,8905,hexanedioic acid;piperazine,C1CNCCN1.C(CCC(=O)O)CC(=O)O,"InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2",BVEGEKOBSPXUJS-UHFFFAOYSA-N,C10H20N2O4,232.28,232.1423071,,98.7,140,0,4,6,5,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
N-B-HYDROXYETHYLPIPERAZINE,000103-76-4,7677,2-piperazin-1-ylethanol,C1CN(CCN1)CCO,"InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2",WFCSWCVEJLETKA-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,-1.1,35.5,71,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PIPERAZINE-2,2,3,3,5,5,6,6-D8 DIHYDROCHLORIDE",849482-21-9,49849345,"2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochloride",[2H]C1(C(NC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H].Cl.Cl,"InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;",CVVIJWRCGSYCMB-VHGLFXLXSA-N,C4H12Cl2N2,167.1,166.0879677,,24.1,26,0,4,2,0,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,0,1,1,0,0
(S)-1-BOC-3-METHYLPIPERAZINE,147081-29-6,7023035,tert-butyl (3S)-3-methylpiperazine-1-carboxylate,C[C@H]1CN(CCN1)C(=O)OC(C)(C)C,"InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1",FMLPQHJYUZTHQS-QMMMGPOBSA-N,C10H20N2O2,200.28,200.1524779,0.9,41.6,211,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PIPOBROMAN,000054-91-1,4842,3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one,C1CN(CCN1C(=O)CCBr)C(=O)CCBr,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,NJBFOOCLYDNZJN-UHFFFAOYSA-N,C10H16Br2N2O2,356.05,355.9558,0.4,40.6,227,0,0,2,4,16,,,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"PIPERAZINE, MONOHYDROCHLORIDE",007542-23-6,82044,piperazine;hydrochloride,C1CNCCN1.Cl,"InChI=1S/C4H10N2.ClH/c1-2-6-4-3-5-1;/h5-6H,1-4H2;1H",MSQACBWWAIBWIC-UHFFFAOYSA-N,C4H11ClN2,122.6,122.0610761,,24.1,26,0,3,2,0,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,0,1,1,0,0
N-T-BUTOXYCARBONYLPIPERAZINE,057260-71-6,143452,tert-butyl piperazine-1-carboxylate,CC(C)(C)OC(=O)N1CCNCC1,"InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3",CWXPZXBSDSIRCS-UHFFFAOYSA-N,C9H18N2O2,186.25,186.1368278,0.5,41.6,181,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (2S)-2-METHYLPIPERAZINE-1-CARBOXYLATE,169447-70-5,10081508,tert-butyl (2S)-2-methylpiperazine-1-carboxylate,C[C@H]1CNCCN1C(=O)OC(C)(C)C,"InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1",DATRVIMZZZVHMP-QMMMGPOBSA-N,C10H20N2O2,200.28,200.1524779,0.9,41.6,211,0,1,3,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIFLUOROACETYLPIPERAZIZNE,006511-88-2,7172020,"2,2,2-trifluoro-1-piperazin-1-ylethanone",C1CN(CCN1)C(=O)C(F)(F)F,"InChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2",VCMQRVDQQAMQTJ-UHFFFAOYSA-N,C6H9F3N2O,182.14,182.0666974,0.2,32.3,174,0,1,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-PIPERAZINEDIETHANESULFONIC ACID, MONOSODIUM SALT",010010-67-0,23670851,sodium 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate,C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].[Na+],"InChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1",OGGAIRCLBMGXCZ-UHFFFAOYSA-M,C8H17N2NaO6S2,324.4,324.0425729,,135,447,0,1,8,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERAZINEETHANAMINE, MONOACETATE",067786-00-9,105600,acetic acid;2-piperazin-1-ylethanamine,CC(=O)O.C1CN(CCN1)CCN,"InChI=1S/C6H15N3.C2H4O2/c7-1-4-9-5-2-8-3-6-9;1-2(3)4/h8H,1-7H2;1H3,(H,3,4)",UXUWJSIELSPPQC-UHFFFAOYSA-N,C8H19N3O2,189.26,189.1477269,,78.6,99,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEPBS,161308-36-7,9965191,4-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid,C1CN(CCN1CCCCS(=O)(=O)O)CCO,"InChI=1S/C10H22N2O4S/c13-9-8-12-6-4-11(5-7-12)3-1-2-10-17(14,15)16/h13H,1-10H2,(H,14,15,16)",LOJNFONOHINEFI-UHFFFAOYSA-N,C10H22N2O4S,266.36,266.1300284,-3.3,89.5,294,0,2,6,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinepropanol, 4-(6-((6-methoxy-8-quinolyl)amino)hexyl)-alpha-methyl-,",,79207,3-piperazin-1-ylpropan-1-ol,C1CN(CCN1)CCCO,"InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2",LWEOFVINMVZGAS-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,-0.7,35.5,81,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL (3R,5S)-3,5-DIMETHYLPIPERAZINE-1-CARBOXYLATE",129779-30-2,10822535,"tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate",C[C@@H]1CN(C[C@@H](N1)C)C(=O)OC(C)(C)C,"InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+",NUZXPHIQZUYMOR-DTORHVGOSA-N,C11H22N2O2,214.3,214.1681279,1.3,41.6,225,0,1,3,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PIPERAZINE DIHYDROCHLORIDE,000142-64-3,8893,piperazine;dihydrochloride,C1CNCCN1.Cl.Cl,"InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H",CVVIJWRCGSYCMB-UHFFFAOYSA-N,C4H12Cl2N2,159.05,158.0377538,,24.1,26,0,4,2,0,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,0,1,1,0,0
"1,4-DI-BOC-PIPERAZINE-2-CARBOXYLIC ACID",181955-79-3,11255979,"1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid",CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C,"InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)",IIZGWFQKLVCLLA-UHFFFAOYSA-N,C15H26N2O6,330.38,330.1790866,1.4,96.4,477,0,1,6,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-PIPERRAZINEDIETHANOL",000122-96-3,67151,2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol,C1CN(CCN1CCO)CCO,"InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2",VARKIGWTYBUWNT-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,-1.3,46.9,99,0,2,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PIPERAZINE PYROPHOSPHATE,066034-17-1,21989140,phosphono dihydrogen phosphate;piperazine,C1CNCCN1.OP(=O)(O)OP(=O)(O)O,"InChI=1S/C4H10N2.H4O7P2/c1-2-6-4-3-5-1;1-8(2,3)7-9(4,5)6/h5-6H,1-4H2;(H2,1,2,3)(H2,4,5,6)",MWFNQNPDUTULBC-UHFFFAOYSA-N,C4H14N2O7P2,264.11,264.0276248,,148,174,0,6,9,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1-(2-(2-HYDROXYETHOXY)ETHYL)PIPERAZINE,013349-82-1,139436,2-(2-piperazin-1-ylethoxy)ethanol,C1CN(CCN1)CCOCCO,"InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2",FLNQAPQQAZVRDA-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,-1.2,44.7,105,0,2,4,5,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(3-chloropropyl)-4-methyl-",104-16-5,66906,1-(3-chloropropyl)-4-methylpiperazine,CN1CCN(CC1)CCCCl,"InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3",AUERUDPETOKUPT-UHFFFAOYSA-N,C8H17ClN2,176.69,176.1080262,1,6.5,100,0,0,2,3,11,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Piperazinedicarbodithioic acid, disodium salt",877-78-1,72597,"disodium;piperazine-1,4-dicarbodithioate",C1CN(CCN1C(=S)[S-])C(=S)[S-].[Na+].[Na+],"InChI=1S/C6H10N2S4.2Na/c9-5(10)7-1-2-8(4-3-7)6(11)12;;/h1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",ZCVJLQSBJNPBQE-UHFFFAOYSA-L,C6H8N2Na2S4,282.4,281.9365715,,72.7,165,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, phosphate",1951-97-9,64733,phosphoric acid;piperazine,C1CNCCN1.OP(=O)(O)O,"InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)",NQQWFVUVBGSGQN-UHFFFAOYSA-N,C4H13N2O4P,184.13,184.0612939,,102,76,0,5,6,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,0,1,1,0,0
"Piperazine, 1-(2-(N,N-bis(2-hydroxypropyl)amino)ethyl)-4-(2-hydroxypropyl)-",3768-41-0,98117,1-[4-[2-[bis(2-hydroxypropyl)amino]ethyl]piperazin-1-yl]propan-2-ol,CC(CN1CCN(CC1)CCN(CC(C)O)CC(C)O)O,"InChI=1S/C15H33N3O3/c1-13(19)10-17-7-4-16(5-8-17)6-9-18(11-14(2)20)12-15(3)21/h13-15,19-21H,4-12H2,1-3H3",CVGZYBYVLMNLGK-UHFFFAOYSA-N,C15H33N3O3,303.44,303.2521919,-0.6,70.4,263,0,3,6,9,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1,4-dinitro-",4164-37-8,20124,"1,4-dinitropiperazine",C1CN(CCN1[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2,GSUMZAMXDRIYCL-UHFFFAOYSA-N,C4H8N4O4,176.13,176.0545548,0.8,98.1,166,0,0,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-isopropyl-",4318-42-7,78013,1-propan-2-ylpiperazine,CC(C)N1CCNCC1,"InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3",WHKWMTXTYKVFLK-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.4,15.3,75,0,1,2,1,9,,,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,4-Piperazinedicarboxylic acid, diethyl ester",5470-28-0,79615,"diethyl piperazine-1,4-dicarboxylate",CCOC(=O)N1CCN(CC1)C(=O)OCC,"InChI=1S/C10H18N2O4/c1-3-15-9(13)11-5-7-12(8-6-11)10(14)16-4-2/h3-8H2,1-2H3",NAEAAGULDNVNCW-UHFFFAOYSA-N,C10H18N2O4,230.26,230.1266571,0.5,59.1,223,0,0,4,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-nitroso-",5632-47-3,21845,1-nitrosopiperazine,C1CN(CCN1)N=O,"InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2",CVTIZMOISGMZRJ-UHFFFAOYSA-N,C4H9N3O,115.13,115.0745619,0.2,44.7,79,0,1,4,0,8,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"2-Propen-1-one, 1,1'-(1,4-piperazinediyl)bis-",6342-17-2,193422,1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one,C=CC(=O)N1CCN(CC1)C(=O)C=C,"InChI=1S/C10H14N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-4H,1-2,5-8H2",YERHJBPPDGHCRJ-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,0.2,40.6,237,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinecarboxylic acid, 4-nitroso-, ethyl ester",13256-15-0,25808,ethyl 4-nitrosopiperazine-1-carboxylate,CCOC(=O)N1CCN(CC1)N=O,"InChI=1S/C7H13N3O3/c1-2-13-7(11)9-3-5-10(8-12)6-4-9/h2-6H2,1H3",OYHRVILJSHWJAE-UHFFFAOYSA-N,C7H13N3O3,187.2,187.0956913,0.2,62.2,189,0,0,5,2,13,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-methyl-4-nitroso-",16339-07-4,27826,1-methyl-4-nitrosopiperazine,CN1CCN(CC1)N=O,"InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3",CEAIOKFZXJMDAS-UHFFFAOYSA-N,C5H11N3O,129.16,129.090212,0.2,35.9,98,0,0,4,0,9,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Piperazine, 1,4-diacetyl-",18940-57-3,95851,1-(4-acetylpiperazin-1-yl)ethanone,CC(=O)N1CCN(CC1)C(=O)C,"InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3",NBQBICYRKOTWRR-UHFFFAOYSA-N,C8H14N2O2,170.21,170.1055277,-1,40.6,173,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-amino-4-methyl-, dihydrochloride",40675-60-3,198221,4-methylpiperazin-1-amine;dihydrochloride,CN1CCN(CC1)N.Cl.Cl,"InChI=1S/C5H13N3.2ClH/c1-7-2-4-8(6)5-3-7;;/h2-6H2,1H3;2*1H",MIQKQAFRWSMHEI-UHFFFAOYSA-N,C5H15Cl2N3,188.1,187.0643029,,32.5,66,0,3,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1,4-dinitroso-2,3,5,6-tetramethyl-",63441-59-8,148371,"2,3,5,6-tetramethyl-1,4-dinitrosopiperazine",CC1C(N(C(C(N1N=O)C)C)N=O)C,"InChI=1S/C8H16N4O2/c1-5-6(2)12(10-14)8(4)7(3)11(5)9-13/h5-8H,1-4H3",OHOJWCVESZTLQZ-UHFFFAOYSA-N,C8H16N4O2,200.24,200.1273258,0.9,65.3,195,0,0,6,0,14,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinecarboxamide, N,N-diethyl-4-phenyl-",80518-53-2,258192,piperazine-1-carboxamide,C1CN(CCN1)C(=O)N,"InChI=1S/C5H11N3O/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)",IVXQBCUBSIPQGU-UHFFFAOYSA-N,C5H11N3O,129.16,129.090212,-1.5,58.4,109,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-",100828-16-8,1228,4-(3-phosphonopropyl)piperazine-2-carboxylic acid,C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)",CUVGUPIVTLGRGI-UHFFFAOYSA-N,C8H17N2O5P,252.2,252.0875086,-6.8,110,292,0,4,7,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
"1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3,4-dimethoxyphenyl)methylene)-",,147392,piperazin-1-amine,C1CN(CCN1)N,"InChI=1S/C4H11N3/c5-7-3-1-6-2-4-7/h6H,1-5H2",IYPZRUYMFDWKSS-UHFFFAOYSA-N,C4H11N3,101.15,101.0952974,-1.1,41.3,48,0,2,3,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineacetic acid, (3S)-4-(2-((4-((aminoiminomethyl)amino)benzoyl)amino)acetyl)-3-(2-((4-((aminoiminomethyl)amino)benzoyl)amino)ethyl)-2-oxo-",,650402,2-piperazin-1-ylacetic acid,C1CN(CCN1)CC(=O)O,"InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)",WRJZKSHNBALIGH-UHFFFAOYSA-N,C6H12N2O2,144.17,144.0898776,-3.1,52.6,121,0,2,4,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperazinecarboxamide, N-((1R)-1-((4-chlorophenyl)methyl)-2-(4-cyclohexyl-4-((1,1-dimethylethylamino)carbonyl)-1-piperidinyl)-2-oxoethyl)-4-methyl-, (2S)-",,3019914,piperazine-2-carboxamide,C1CNC(CN1)C(=O)N,"InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)",BRYCUMKDWMEGMK-UHFFFAOYSA-N,C5H11N3O,129.16,129.090212,-1.9,67.2,115,0,3,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, beta-methyl-, dihydrochloride",,11972044,2-piperazin-1-ylpropan-1-ol;dihydrochloride,CC(CO)N1CCNCC1.Cl.Cl,"InChI=1S/C7H16N2O.2ClH/c1-7(6-10)9-4-2-8-3-5-9;;/h7-8,10H,2-6H2,1H3;2*1H",KZADEUVHMMIGGU-UHFFFAOYSA-N,C7H18Cl2N2O,217.13,216.0796186,,35.5,91,0,4,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinepropanenitrile, 4-(3-chlorophenyl)-",,2052050,3-piperazin-1-ylpropanenitrile,C1CN(CCN1)CCC#N,"InChI=1S/C7H13N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1,3-7H2",MVOFPBMQTXKONX-UHFFFAOYSA-N,C7H13N3,139.2,139.1109474,-0.7,39.1,129,0,1,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIMIDINE,000289-95-2,9260,pyrimidine,C1=CN=CN=C1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,CZPWVGJYEJSRLH-UHFFFAOYSA-N,C4H4N2,80.09,80.03744814,-0.4,25.8,32,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
4-METHYLPYRIMIDINE,003438-46-8,18922,4-methylpyrimidine,CC1=NC=NC=C1,"InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3",LVILGAOSPDLNRM-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.2,25.8,54,0,0,2,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRIMIDINE, 4,6-DIMETHYL-",001558-17-4,15257,"4,6-dimethylpyrimidine",CC1=CC(=NC=N1)C,"InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3",LSBIUXKNVUBKRI-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.6,25.8,64,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 5-METHYL-",002036-41-1,74859,5-methylpyrimidine,CC1=CN=CN=C1,"InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3",TWGNOYAGHYUFFR-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0,25.8,48,0,0,2,0,7,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
CRIMIDINE,000535-89-7,10813,"2-chloro-N,N,6-trimethylpyrimidin-4-amine",CC1=CC(=NC(=N1)Cl)N(C)C,"InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3",HJIUPFPIEBPYIE-UHFFFAOYSA-N,C7H10ClN3,171.63,171.056325,2,29,129,0,0,3,1,11,,"284 to 297 °F at 4 mmHg (EPA, 1998)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIMIDINE, TETRACHLORO-",001780-40-1,15690,"2,4,5,6-tetrachloropyrimidine",C1(=C(N=C(N=C1Cl)Cl)Cl)Cl,InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7,GVBHCMNXRKOJRH-UHFFFAOYSA-N,C4Cl4N2,217.9,217.878609,3.7,25.8,110,0,0,2,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 2,4,6-TRICHLORO-",003764-01-0,77378,"2,4,6-trichloropyrimidine",C1=C(N=C(N=C1Cl)Cl)Cl,InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H,DPVIABCMTHHTGB-UHFFFAOYSA-N,C4HCl3N2,183.42,181.920531,3.1,25.8,89,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPYRIMIDINE,001722-12-9,74404,2-chloropyrimidine,C1=CN=C(N=C1)Cl,InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H,UNCQVRBWJWWJBF-UHFFFAOYSA-N,C4H3ClN2,114.53,113.9984758,0.3,25.8,51,0,0,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-PYRIMIDINAMINE, 5-CHLORO-",005428-89-7,79479,5-chloropyrimidin-2-amine,C1=C(C=NC(=N1)N)Cl,"InChI=1S/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)",OQZMDDKDHRIGDY-UHFFFAOYSA-N,C4H4ClN3,129.55,129.0093748,0.5,51.8,69,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitroso-,",055661-38-6,91657,3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride,CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl,"InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H",KPMKNHGAPDCYLP-UHFFFAOYSA-N,C9H14Cl2N6O2,309.15,308.0555291,,114,292,0,3,6,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIMIDINE, 5-BROMO-4,6-DICHLORO-",068797-61-5,111605,"5-bromo-4,6-dichloropyrimidine",C1=NC(=C(C(=N1)Cl)Br)Cl,InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H,BKLHHTTZTSYHBV-UHFFFAOYSA-N,C4HBrCl2N2,227.87,225.87002,2.8,25.8,92,0,0,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PIRIMIFOS-ETHYL,023505-41-1,31957,"4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine",CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C,"InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3",TZBPRYIIJAJUOY-UHFFFAOYSA-N,C13H24N3O3PS,333.39,333.1275998,4.8,88.8,335,0,0,7,9,21,"113 °F, 45 °C (Pensky-Martin closed cup)",,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PIRIMIPHOS METHYL,029232-93-7,34526,"4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine",CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C,"InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",QHOQHJPRIBSPCY-UHFFFAOYSA-N,C11H20N3O3PS,305.34,305.0962997,4.2,88.8,310,0,0,7,7,19,,Decomposes on distillation,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIAZINON,000333-41-5,3017,diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",FHIVAFMUCKRCQO-UHFFFAOYSA-N,C12H21N2O3PS,304.35,304.1010507,3.8,85.6,307,0,0,6,7,19,"82 to 105 °F (commercial solutions) (NTP, 1992)","Decomposes >248 °F (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETRIMFOS,038260-54-7,37995,(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane,CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC,"InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3",FGIWFCGDPUIBEZ-UHFFFAOYSA-N,C10H17N2O4PS,292.29,292.0646652,3.2,94.8,287,0,0,7,7,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-AMINO-2,6-DIMETHYLPYRIMIDINE",000461-98-3,68039,"2,6-dimethylpyrimidin-4-amine",CC1=CC(=NC(=N1)C)N,"InChI=1S/C6H9N3/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3,(H2,7,8,9)",BJJDXAFKCKSLTE-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,0.4,51.8,94,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-4,6-DIMETHYLPYRIMIDINE",000767-15-7,13021,"4,6-dimethylpyrimidin-2-amine",CC1=CC(=NC(=N1)N)C,"InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)",IDQNBVFPZMCDDN-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,0.7,51.8,84,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIMIDINE-2-CARBALDEHYDE,027427-92-5,13751953,pyrimidine-2-carbaldehyde,C1=CN=C(N=C1)C=O,InChI=1S/C5H4N2O/c8-4-5-6-2-1-3-7-5/h1-4H,CCOXWRVWKFVFDG-UHFFFAOYSA-N,C5H4N2O,108.1,108.0323628,0,42.9,78,0,0,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-CHLORO-4,5-PYRIMIDINEDIAMINE",004316-98-7,78010,"6-chloropyrimidine-4,5-diamine",C1=NC(=C(C(=N1)Cl)N)N,"InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)",VNSFICAUILKARD-UHFFFAOYSA-N,C4H5ClN4,144.56,144.0202739,0.1,77.8,98,0,2,4,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"4,6-PYRIMIDINEDIAMINE, MONOHYDROCHLORIDE",005468-67-7,79607,"pyrimidine-4,6-diamine;hydrochloride",C1=C(N=CN=C1N)N.Cl,"InChI=1S/C4H6N4.ClH/c5-3-1-4(6)8-2-7-3;/h1-2H,(H4,5,6,7,8);1H",MVZWLBUGTZKZMN-UHFFFAOYSA-N,C4H7ClN4,146.58,146.0359239,,77.8,66,0,3,4,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-PYRIMIDINAMINE, 2,6-DICHLORO-",010132-07-7,82387,"2,6-dichloropyrimidin-4-amine",C1=C(N=C(N=C1Cl)Cl)N,"InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)",UPVBKNZVOJNQKE-UHFFFAOYSA-N,C4H3Cl2N3,163.99,162.9704025,1.8,51.8,99,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 4,6-DICHLORO-2-METHYL-5-NITRO-",013162-43-1,83192,"4,6-dichloro-2-methyl-5-nitropyrimidine",CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl,InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3,OPXGPTXSLFZVCA-UHFFFAOYSA-N,C5H3Cl2N3O2,208,206.9602317,2.4,71.6,174,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIMIDINAMINE, 2-CHLORO-N,N-DIMETHYL-",031058-81-8,95975,"2-chloro-N,N-dimethylpyrimidin-4-amine",CN(C)C1=NC(=NC=C1)Cl,"InChI=1S/C6H8ClN3/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3",MTEQLYDOCFPCAX-UHFFFAOYSA-N,C6H8ClN3,157.6,157.040675,1.6,29,107,0,0,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-METHYL-4-PYRIMIDINYL)-",067860-38-2,5362572,1-(2-methylpyrimidin-4-yl)ethanone,CC1=NC=CC(=N1)C(=O)C,"InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3",ZADBZWAGUOHTAB-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.6,42.9,136,0,0,3,1,10,,87.00 to 89.00 °C. @ 10.00 mm Hg,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 2,4-DICHLORO-5-METHYL-",001780-31-0,74508,"2,4-dichloro-5-methylpyrimidine",CC1=CN=C(N=C1Cl)Cl,"InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3",DQXNTSXKIUZJJS-UHFFFAOYSA-N,C5H4Cl2N2,163,161.9751535,2.5,25.8,99,0,0,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIMIDINE, 2,4-DICHLORO-6-METHYL-",005424-21-5,79471,"2,4-dichloro-6-methylpyrimidine",CC1=CC(=NC(=N1)Cl)Cl,"InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3",BTLKROSJMNFSQZ-UHFFFAOYSA-N,C5H4Cl2N2,163,161.9751535,2.5,25.8,99,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIAMINOPYRIMIDINE",001004-38-2,13863,"pyrimidine-2,4,6-triamine",C1=C(N=C(N=C1N)N)N,"InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)",JTTIOYHBNXDJOD-UHFFFAOYSA-N,C4H7N5,125.13,125.0701452,-0.8,104,85,0,3,5,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5,6-TETRAAMINOPYRIMIDINE SULFATE",005392-28-9,79358,"pyrimidine-2,4,5,6-tetramine;sulfuric acid",C1(=C(N=C(N=C1N)N)N)N.OS(=O)(=O)O,"InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)",MQEFDQWUCTUJCP-UHFFFAOYSA-N,C4H10N6O4S,238.23,238.048424,,213,186,0,6,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPYRIMIDINE,000591-54-8,68958,pyrimidin-4-amine,C1=CN=CN=C1N,"InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)",OYRRZWATULMEPF-UHFFFAOYSA-N,C4H5N3,95.1,95.04834717,-0.2,51.8,54,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOPYRIMIDINE,000109-12-6,7978,pyrimidin-2-amine,C1=CN=C(N=C1)N,"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)",LJXQPZWIHJMPQQ-UHFFFAOYSA-N,C4H5N3,95.1,95.04834717,-0.2,51.8,48,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINOPYRIMIDINE",000156-81-0,67431,"pyrimidine-2,4-diamine",C1=CN=C(N=C1N)N,"InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)",YAAWASYJIRZXSZ-UHFFFAOYSA-N,C4H6N4,110.12,110.0592462,-0.5,77.8,74,0,2,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-4-METHYLPYRIMIDINE,000108-52-1,7939,4-methylpyrimidin-2-amine,CC1=NC(=NC=C1)N,"InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)",GHCFWKFREBNSPC-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,0.3,51.8,74,0,1,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMOPYRIMIDINE,004595-59-9,78344,5-bromopyrimidine,C1=C(C=NC=N1)Br,InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,GYCPLYCTMDTEPU-UHFFFAOYSA-N,C4H3BrN2,158.98,157.94796,0.7,25.8,51,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-CHLOROPYRIMIDINE,032779-36-5,606665,5-bromo-2-chloropyrimidine,C1=C(C=NC(=N1)Cl)Br,InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H,XPGIBDJXEVAVTO-UHFFFAOYSA-N,C4H2BrClN2,193.43,191.90899,1.9,25.8,72,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CHLORO-2,6-DIMETHOXYTPYRIMIDINE",006320-15-6,80600,"4-chloro-2,6-dimethoxypyrimidine",COC1=CC(=NC(=N1)OC)Cl,"InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3",JHNRTJRDRWKAIW-UHFFFAOYSA-N,C6H7ClN2O2,174.58,174.0196052,1.8,44.2,125,0,0,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIMIDINAMINE, 4,6-DICHLORO-",000056-05-3,65522,"4,6-dichloropyrimidin-2-amine",C1=C(N=C(N=C1Cl)N)Cl,"InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)",JPZOAVGMSDSWSW-UHFFFAOYSA-N,C4H3Cl2N3,163.99,162.9704025,1.8,51.8,89,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 5-CHLORO-2,4,6-TRIFLUORO-",000697-83-6,69679,"5-chloro-2,4,6-trifluoropyrimidine",C1(=C(N=C(N=C1F)F)F)Cl,InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7,GOYNRDSJTYLXBU-UHFFFAOYSA-N,C4ClF3N2,168.5,167.9702102,2.1,25.8,113,0,0,5,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIMIDINAMINE, 2,6-DIMETHOXY-",003289-50-7,76789,"2,6-dimethoxypyrimidin-4-amine",COC1=NC(=NC(=C1)N)OC,"InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)",LNTJJKHTAZFVJJ-UHFFFAOYSA-N,C6H9N3O2,155.15,155.0694765,0.5,70.3,122,0,1,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 2,4-DICHLORO-",003934-20-1,77531,"2,4-dichloropyrimidine",C1=CN=C(N=C1Cl)Cl,InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H,BTTNYQZNBZNDOR-UHFFFAOYSA-N,C4H2Cl2N2,148.98,147.9595035,2.1,25.8,78,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PYRIMIDINE, 4,6-DICHLORO-5-NITRO-",004316-93-2,20312,"4,6-dichloro-5-nitropyrimidine",C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl,InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,HCTISZQLTGAYOX-UHFFFAOYSA-N,C4HCl2N3O2,193.97,192.9445817,2,71.6,152,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIMIDINE, 2-BROMO-",004595-60-2,78345,2-bromopyrimidine,C1=CN=C(N=C1)Br,InChI=1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H,PGFIHORVILKHIA-UHFFFAOYSA-N,C4H3BrN2,158.98,157.94796,0.5,25.8,51,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-PYRIMIDINAMINE, 4,6-DICHLORO-",005413-85-4,79434,"4,6-dichloropyrimidin-5-amine",C1=NC(=C(C(=N1)Cl)N)Cl,"InChI=1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2",NIGDWBHWHVHOAD-UHFFFAOYSA-N,C4H3Cl2N3,163.99,162.9704025,1.4,51.8,89,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO-6-CHLORO-",014160-93-1,84230,4-amino-6-chloropyrimidine-5-carbaldehyde,C1=NC(=C(C(=N1)Cl)C=O)N,"InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)",GOJNFUXEBVBARW-UHFFFAOYSA-N,C5H4ClN3O,157.56,157.0042895,0.8,68.9,132,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5,6-PYRIMIDINETRIAMINE, SULFATE (1:1)",049721-45-1,111544,"pyrimidine-4,5,6-triamine;sulfuric acid",C1=NC(=C(C(=N1)N)N)N.OS(=O)(=O)O,"InChI=1S/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)",RKJICTKHLYLPLY-UHFFFAOYSA-N,C4H9N5O4S,223.21,223.037525,,187,166,0,5,9,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIMIDINAMINE, N-(TRIMETHYLSILYL)-2-[(TRIMETHYLSILYL)OXY]-",018037-10-0,87420,N-trimethylsilyl-2-trimethylsilyloxypyrimidin-4-amine,C[Si](C)(C)NC1=NC(=NC=C1)O[Si](C)(C)C,"InChI=1S/C10H21N3OSi2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3,(H,11,12,13)",IWEHUWMQLZFGLL-UHFFFAOYSA-N,C10H21N3OSi2,255.46,255.1223154,,47,225,0,1,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-PYRIMIDINECARBOXYLIC ACID,031462-59-6,169306,pyrimidine-4-carboxylic acid,C1=CN=CN=C1C(=O)O,"InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)",YPOXGDJGKBXRFP-UHFFFAOYSA-N,C5H4N2O2,124.1,124.0272774,0,63.1,116,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 2-amino-4-methoxy-",155-90-8,67428,4-methoxypyrimidin-2-amine,COC1=NC(=NC=C1)N,"InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)",YNXLSFXQTQKQEF-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,0.2,61,88,0,1,4,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinemethanol, 2,4-dimethyl-",698-28-2,98784,"(2,4-dimethylpyrimidin-5-yl)methanol",CC1=NC(=NC=C1CO)C,"InChI=1S/C7H10N2O/c1-5-7(4-10)3-8-6(2)9-5/h3,10H,4H2,1-2H3",CLKRHIBHXHFDSI-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.1,46,108,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 2-methoxy-",931-63-5,136730,2-methoxypyrimidine,COC1=NC=CC=N1,"InChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3",YLZYSVYZMDJYOT-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,0.2,35,61,0,0,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)",1603-02-7,74142,"(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate",C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N,"InChI=1S/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)",DJUGBKWOBAOTFA-UHFFFAOYSA-N,C4H7N5O4S,221.2,221.0218749,-1.8,176,289,0,4,9,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinemethanol, 2-amino-",2164-67-2,200493,(2-aminopyrimidin-4-yl)methanol,C1=CN=C(N=C1CO)N,"InChI=1S/C5H7N3O/c6-5-7-2-1-4(3-9)8-5/h1-2,9H,3H2,(H2,6,7,8)",TWYCDZQLLFNFGK-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,-1,72,88,0,2,4,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 2-chloro-4,6-dimethyl-",4472-44-0,20550,"2-chloro-4,6-dimethylpyrimidine",CC1=CC(=NC(=N1)Cl)C,"InChI=1S/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3",RZVPFDOTMFYQHR-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,2,25.8,87,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 2-amino-4-chloro-6-methyl-",5600-21-5,21810,4-chloro-6-methylpyrimidin-2-amine,CC1=CC(=NC(=N1)N)Cl,"InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)",NPTGVVKPLWFPPX-UHFFFAOYSA-N,C5H6ClN3,143.57,143.0250249,1.2,51.8,98,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrimidinamine, 4-chloro-6-methoxy-",5734-64-5,79811,4-chloro-6-methoxypyrimidin-2-amine,COC1=CC(=NC(=N1)N)Cl,"InChI=1S/C5H6ClN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)",VFEYBTFCBZMBAU-UHFFFAOYSA-N,C5H6ClN3O,159.57,159.0199395,1.1,61,113,0,1,4,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 4,5,6-triamino-, sulfate, hydrate",6640-23-9,201714,"pyrimidine-4,5,6-triamine;sulfuric acid;hydrate",C1=NC(=C(C(=N1)N)N)N.O.OS(=O)(=O)O,"InChI=1S/C4H7N5.H2O4S.H2O/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4;/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4);1H2",WRXLIMZODSSQIH-UHFFFAOYSA-N,C4H11N5O5S,241.23,241.0480896,,188,166,0,6,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester",23103-98-2,31645,"[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate",CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C,InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3,YFGYUFNIOHWBOB-UHFFFAOYSA-N,C11H18N4O2,238.29,238.1429758,1.7,58.6,270,0,0,5,3,17,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Pyrimidine, 2-chloro-4-(dimethylamino)-5-methyl-",34171-43-2,214763,"2-chloro-N,N,5-trimethylpyrimidin-4-amine",CC1=CN=C(N=C1N(C)C)Cl,"InChI=1S/C7H10ClN3/c1-5-4-9-7(8)10-6(5)11(2)3/h4H,1-3H3",OMPXZZNLSYCISQ-UHFFFAOYSA-N,C7H10ClN3,171.63,171.056325,2,29,129,0,0,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfamic acid, N,N-dimethyl-, ester with 5-butyl-2-ethylamino-6-methylpyrimidin-4-ol",41483-43-6,38884,"[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate",CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C,"InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)",DSKJPMWIHSOYEA-UHFFFAOYSA-N,C13H24N4O3S,316.42,316.1569118,2.7,92.8,397,0,1,7,8,21,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)-",55749-30-9,41567,"2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid",CC1=CC(=NC(=N1)SCC(=O)O)C,"InChI=1S/C8H10N2O2S/c1-5-3-6(2)10-8(9-5)13-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)",ZISGTWODACVVLQ-UHFFFAOYSA-N,C8H10N2O2S,198.24,198.0462987,1.5,88.4,179,0,1,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester",96182-53-5,93516,(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C,"InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3",AWYOMXWDGWUJHS-UHFFFAOYSA-N,C13H23N2O3PS,318.37,318.1167008,4.2,85.6,339,0,0,6,7,20,,152 °C,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Dithia-3,5-diazahexan-6-amide, N-(4,6-dimethoxy-2-pyrimidinyl)-3-methyl-, 2,2,4,4-tetraoxide-",120923-37-7,91777,"1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea",CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC,"InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)",CTTHWASMBLQOFR-UHFFFAOYSA-N,C9H15N5O7S2,369.4,369.0412902,-0.2,174,599,0,2,10,6,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrimidinemethanol, 4-((2R,6S)-2,6-dimethyl-4-(2-(4-methyl-1H-imidazol-1-yl)-4-pyrimidinyl)-1-piperazinyl)-alpha-methyl-, (alpha-R)-",300551-01-3,2763024,pyrimidin-2-ylmethanol,C1=CN=C(N=C1)CO,"InChI=1S/C5H6N2O/c8-4-5-6-2-1-3-7-5/h1-3,8H,4H2",HZGCZRCZOMANHK-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.6,46,61,0,1,3,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidineacetic acid, hexahydro-1,3-dicyclohexyl-alpha-methyl-5-((4-methyl-1-piperazinyl)methyl)-2,4,6-trioxo-",,21471675,2-pyrimidin-5-ylacetic acid,C1=C(C=NC=N1)CC(=O)O,"InChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)",HEEUMCHKVXTQIP-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.3,63.1,121,0,1,4,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrimidineacetic acid, 4-oxo-alpha,alpha,6-trimethylthio-",,12367098,2-pyrimidin-2-ylacetic acid,C1=CN=C(N=C1)CC(=O)O,"InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10)",NRRCYZPJUABYHL-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.3,63.1,121,0,1,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinecarbonitrile, 2-amino-4-(4-chlorophenyl)-",,10197646,pyrimidine-5-carbonitrile,C1=C(C=NC=N1)C#N,InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H,XVIAPHVAGFEFFN-UHFFFAOYSA-N,C5H3N3,105.1,105.0326971,-0.1,49.6,106,0,0,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinecarboxamide, 2-(4-(4-chloro-2-fluorophenoxy)phenyl)-",,17861762,pyrimidine-4-carboxamide,C1=CN=CN=C1C(=O)N,"InChI=1S/C5H5N3O/c6-5(9)4-1-2-7-3-8-4/h1-3H,(H2,6,9)",HKSQZEGSMBFHGC-UHFFFAOYSA-N,C5H5N3O,123.11,123.0432618,-0.7,68.9,115,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinecarboxamide, 2-(((3-(1-((2-chloro-4-fluorophenyl)methyl)-4-piperidinyl)-1,2,4-oxadiazol-5-yl)methyl)methylamino)-N-hydroxy-",,351819,pyrimidine-5-carboxamide,C1=C(C=NC=N1)C(=O)N,"InChI=1S/C5H5N3O/c6-5(9)4-1-7-3-8-2-4/h1-3H,(H2,6,9)",QDXGKRWDQCEABB-UHFFFAOYSA-N,C5H5N3O,123.11,123.0432618,-0.9,68.9,109,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinecarboxylic acid, 3-(((3-(4-(3-(acetylamino)phenyl)-1-piperidinyl)propyl)amino)carbonyl)-4-(3,4-difluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester, (4S)-",,78346,pyrimidine-5-carboxylic acid,C1=C(C=NC=N1)C(=O)O,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)",IIVUJUOJERNGQX-UHFFFAOYSA-N,C5H4N2O2,124.1,124.0272774,-0.3,63.1,110,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrimidinepropanoic acid, beta-(aminomethyl)-",,5152885,3-pyrimidin-2-ylpropanoic acid,C1=CN=C(N=C1)CCC(=O)O,"InChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)",UXTNNDRHOGJJFE-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0,63.1,132,0,1,4,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRAZINE,000290-37-9,9261,pyrazine,C1=CN=CC=N1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,KYQCOXFCLRTKLS-UHFFFAOYSA-N,C4H4N2,80.09,80.03744814,-0.2,25.8,26,0,0,2,0,6,,115.00 to 116.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,1,0,0,1
2-METHYLPYRAZINE,000109-08-0,7976,2-methylpyrazine,CC1=NC=CN=C1,"InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",CAWHJQAVHZEVTJ-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.2,25.8,54,0,0,2,0,7,,135.00 °C. @ 761.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2,6-DIMETHYL-",000108-50-9,7938,"2,6-dimethylpyrazine",CC1=CN=CC(=N1)C,"InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3",HJFZAYHYIWGLNL-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.5,25.8,64,0,0,2,0,8,,154.00 to 155.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-METHOXY-3-METHYL-",002847-30-5,17898,2-methoxy-3-methylpyrazine,CC1=NC=CN=C1OC,"InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",VKJIAEQRKBQLLA-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,1.2,35,87,0,0,3,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-METHYL-3-(METHYLTHIO)-",002882-20-4,76152,2-methyl-3-methylsulfanylpyrazine,CC1=NC=CN=C1SC,"InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",PPPFFGVGWFKTHX-UHFFFAOYSA-N,C6H8N2S,140.21,140.0408194,1.8,51.1,87,0,0,3,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-METHOXY-5-METHYL-",002882-22-6,76153,2-methoxy-5-methylpyrazine,CC1=CN=C(C=N1)OC,"InChI=1S/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3",OHQNWZNVCSEVEQ-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,0.4,35,87,0,0,3,1,9,,167.00 to 168.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2,3-DIMETHYL-",005910-89-4,22201,"2,3-dimethylpyrazine",CC1=NC=CN=C1C,"InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3",OXQOBQJCDNLAPO-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.5,25.8,62,0,0,2,0,8,,155.00 to 157.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-ETHYL-5-METHYL-",013360-64-0,25915,2-ethyl-5-methylpyrazine,CCC1=NC=C(N=C1)C,"InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3",OXCKCFJIKRGXMM-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1,25.8,83,0,0,2,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, ETHYL-",013925-00-3,26331,2-ethylpyrazine,CCC1=NC=CN=C1,"InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3",KVFIJIWMDBAGDP-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.7,25.8,63,0,0,2,1,8,,152.00 to 153.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, CHLORO-",014508-49-7,73277,2-chloropyrazine,C1=CN=C(C=N1)Cl,InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H,GELVZYOEQVJIRR-UHFFFAOYSA-N,C4H3ClN2,114.53,113.9984758,0.7,25.8,57,0,0,2,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, TRIMETHYL-",014667-55-1,26808,"2,3,5-trimethylpyrazine",CC1=CN=C(C(=N1)C)C,"InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3",IAEGWXHKWJGQAZ-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1,25.8,92,0,0,2,0,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-ETHYL-3-METHYL-",015707-23-0,27457,2-ethyl-3-methylpyrazine,CCC1=NC=CN=C1C,"InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",LNIMMWYNSBZESE-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.1,25.8,83,0,0,2,1,9,,57.00 °C. @ 10.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, (1,1-DIMETHYLETHYL)-",032741-11-0,122943,2-tert-butylpyrazine,CC(C)(C)C1=NC=CN=C1,"InChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4-6H,1-3H3",YNQZVOWNJKASKQ-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.5,25.8,104,0,0,2,1,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PYRAZINE-D4,001758-62-9,16212201,"2,3,5,6-tetradeuteriopyrazine",[2H]C1=C(N=C(C(=N1)[2H])[2H])[2H],"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H/i1D,2D,3D,4D",KYQCOXFCLRTKLS-RHQRLBAQSA-N,C4H4N2,84.11,84.06255512,-0.2,25.8,26,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
THIONAZIN,000297-97-2,9272,diethoxy-pyrazin-2-yloxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=NC=CN=C1,"InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3",IRVDMKJLOCGUBJ-UHFFFAOYSA-N,C8H13N2O3PS,248.24,248.0384505,2,85.6,220,0,0,6,6,15,,"176 °F at 0.001 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMILORIDE HYDROCHLORIDE,002016-88-8,16230,"3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride",C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,"InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H",ACHKKGDWZVCSNH-UHFFFAOYSA-N,C6H9Cl2N7O,266.09,265.0245633,,159,279,0,5,5,1,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"5,6-DICHLORO-2,3-DICYANOPYRAZINE",056413-95-7,607820,"5,6-dichloropyrazine-2,3-dicarbonitrile",C(#N)C1=C(N=C(C(=N1)Cl)Cl)C#N,InChI=1S/C6Cl2N4/c7-5-6(8)12-4(2-10)3(1-9)11-5,QUFXYBKGILUJHS-UHFFFAOYSA-N,C6Cl2N4,198.99,197.9500014,1.8,73.4,233,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRAZINEETHANETHIOL,035250-53-4,61945,2-pyrazin-2-ylethanethiol,C1=CN=C(C=N1)CCS,"InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2",QKVWBAMZPUHCMO-UHFFFAOYSA-N,C6H8N2S,140.21,140.0408194,0.4,26.8,77,0,1,3,2,9,,105.00 to 110.00 °C. @ 20.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, (1-METHYLETHENYL)-",038713-41-6,62897,2-prop-1-en-2-ylpyrazine,CC(=C)C1=NC=CN=C1,"InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3",JMKUTMOIKCXELD-UHFFFAOYSA-N,C7H8N2,120.15,120.0687483,1.2,25.8,109,0,0,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-CHLORO-3-METHYL-",000095-58-9,66769,2-chloro-3-methylpyrazine,CC1=NC=CN=C1Cl,"InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3",WZHWPZQQPWKEAV-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,1.1,25.8,76,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, (METHYLTHIO)-",021948-70-9,519907,2-methylsulfanylpyrazine,CSC1=NC=CN=C1,"InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",KBPBOWBQRUXMFV-UHFFFAOYSA-N,C5H6N2S,126.18,126.0251694,1.2,51.1,67,0,0,3,1,8,,75.00 °C. @ 5.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINAMINE, 6-CHLORO-",033332-28-4,118458,6-chloropyrazin-2-amine,C1=C(N=C(C=N1)Cl)N,"InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)",JTPXVCKCLBROOJ-UHFFFAOYSA-N,C4H4ClN3,129.55,129.0093748,0.9,51.8,77,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, (CHLOROMETHYL)-",039204-47-2,170169,2-(chloromethyl)pyrazine,C1=CN=C(C=N1)CCl,"InChI=1S/C5H5ClN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2",GFHPSQFCHUIFTO-UHFFFAOYSA-N,C5H5ClN2,128.56,128.0141259,0.3,25.8,67,0,0,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PYRAZINE, 2-CHLORO-3-ETHYL-",063450-95-3,113222,2-chloro-3-ethylpyrazine,CCC1=NC=CN=C1Cl,"InChI=1S/C6H7ClN2/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3",JDBIYZFYKSYXPK-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,2.5,25.8,87,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-ETHOXY-3-(1-METHYLETHYL)-",072797-16-1,175170,2-ethoxy-3-propan-2-ylpyrazine,CCOC1=NC=CN=C1C(C)C,"InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3",LTAUBPVQMBOANV-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,2.6,35,128,0,0,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLPYRAZINE,001124-11-4,14296,"2,3,5,6-tetramethylpyrazine",CC1=C(N=C(C(=N1)C)C)C,InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3,FINHMKGKINIASC-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.3,25.8,87,0,0,2,0,10,,190.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIBROMOPYRAZINE",023229-25-6,20361700,"2,6-dibromopyrazine",C1=C(N=C(C=N1)Br)Br,InChI=1S/C4H2Br2N2/c5-3-1-7-2-4(6)8-3/h1-2H,JXKQTRCEKQCAGH-UHFFFAOYSA-N,C4H2Br2N2,237.88,237.85642,1.8,25.8,70,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(PYRAZIN-2-YL)ACETONITRILE,005117-44-2,12782906,2-pyrazin-2-ylacetonitrile,C1=CN=C(C=N1)CC#N,"InChI=1S/C6H5N3/c7-2-1-6-5-8-3-4-9-6/h3-5H,1H2",IMDVGMNGUNXHQJ-UHFFFAOYSA-N,C6H5N3,119.12,119.0483472,-0.5,49.6,124,0,0,3,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, METHOXY-",003149-28-8,18467,2-methoxypyrazine,COC1=NC=CN=C1,"InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",WKSXRWSOSLGSTN-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,0.7,35,67,0,0,3,1,8,,60.00 to 61.00 °C. @ 29.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 3-ETHYL-2,5-DIMETHYL-",013360-65-1,25916,"3-ethyl-2,5-dimethylpyrazine",CCC1=NC(=CN=C1C)C,"InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3",WHMWOHBXYIZFPF-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.5,25.8,103,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-ETHYL-3,5-DIMETHYL-",013925-07-0,26334,"2-ethyl-3,5-dimethylpyrazine",CCC1=NC=C(N=C1C)C,"InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3",JZBCTZLGKSYRSF-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.5,25.8,103,0,0,2,1,10,,180.00 to 182.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2,3-DIETHYL-",015707-24-1,27458,"2,3-diethylpyrazine",CCC1=NC=CN=C1CC,"InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3",GZXXANJCCWGCSV-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.5,25.8,81,0,0,2,2,10,,180.00 to 182.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, PROPYL-",018138-03-9,87466,2-propylpyrazine,CCCC1=NC=CN=C1,"InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3",DJLLTFRHLPVCEL-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1,25.8,73,0,0,2,2,9,,65.00 °C. @ 12.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2,3-DIETHYL-5-METHYL-",018138-04-0,28905,"2,3-diethyl-5-methylpyrazine",CCC1=NC=C(N=C1CC)C,"InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3",PSINWXIDJYEXLO-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,1.9,25.8,114,0,0,2,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PYRAZINECARBONITRILE,019847-12-2,73172,pyrazine-2-carbonitrile,C1=CN=C(C=N1)C#N,"InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H",PMSVVUSIPKHUMT-UHFFFAOYSA-N,C5H3N3,105.1,105.0326971,0,49.6,112,0,0,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(3-METHYLPYRAZINYL)-",023787-80-6,32093,1-(3-methylpyrazin-2-yl)ethanone,CC1=NC=CN=C1C(=O)C,"InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3",QUNOTZOHYZZWKQ-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.2,42.9,136,0,0,3,1,10,,265.00 to 266.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-METHOXY-3-(1-METHYLPROPYL)-",024168-70-5,520098,2-butan-2-yl-3-methoxypyrazine,CCC(C)C1=NC=CN=C1OC,"InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3",QMQDJVIJVPEQHE-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,1.6,35,130,0,0,3,3,12,,50.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-ETHYL-3-METHOXY-",025680-58-4,33135,2-ethyl-3-methoxypyrazine,CCC1=NC=CN=C1OC,"InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3",DPCILIMHENXHQX-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,1.8,35,97,0,0,3,2,10,,90.00 °C. @ 40.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(3-ETHYLPYRAZINYL)-",032974-92-8,61918,1-(3-ethylpyrazin-2-yl)ethanone,CCC1=NC=CN=C1C(=O)C,"InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3",PPJSYGVFDJEMRP-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.6,42.9,147,0,0,3,2,11,,220.00 to 221.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(3,5-DIMETHYLPYRAZINYL)-",054300-08-2,104721,"1-(3,5-dimethylpyrazin-2-yl)ethanone",CC1=CN=C(C(=N1)C)C(=O)C,"InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3",UCGOSAWBWFUKDT-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.6,42.9,158,0,0,3,1,11,,70.00 °C. @ 7.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(3,6-DIMETHYLPYRAZINYL)-",054300-09-3,104722,"1-(3,6-dimethylpyrazin-2-yl)ethanone",CC1=CN=C(C(=N1)C(=O)C)C,"InChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3",JFUVDGXTDCVGHA-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.6,42.9,158,0,0,3,1,11,,238.00 to 239.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-(1-METHYLETHYL)-3-(METHYLTHIO)-",067952-59-4,106216,2-methylsulfanyl-3-propan-2-ylpyrazine,CC(C)C1=NC=CN=C1SC,"InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",MUSIVZZZFRJWGI-UHFFFAOYSA-N,C8H12N2S,168.26,168.0721196,2.6,51.1,117,0,0,3,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHYLPYRAZINE",000123-32-0,31252,"2,5-dimethylpyrazine",CC1=CN=C(C=N1)C,"InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3",LCZUOKDVTBMCMX-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.6,25.8,62,0,0,2,0,8,,154.00 to 156.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE, 2-METHOXY-3-(1-METHYLETHYL)-",025773-40-4,33166,2-methoxy-3-propan-2-ylpyrazine,CC(C)C1=NC=CN=C1OC,"InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",NTOPKICPEQUPPH-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,2,35,117,0,0,3,2,11,,120.00 to 125.00 °C. @ 20.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PYRAZINAMIDE,000098-96-4,1046,pyrazine-2-carboxamide,C1=CN=C(C=N1)C(=O)N,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",IPEHBUMCGVEMRF-UHFFFAOYSA-N,C5H5N3O,123.11,123.0432618,-0.6,68.9,115,0,1,3,1,9,,"SUB (NTP, 1992)",0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2(1H)-PYRAZINONE, SODIUM SALT",024387-68-6,23668973,sodium pyrazin-2-olate,C1=CN=C(C=N1)[O-].[Na+],"InChI=1S/C4H4N2O.Na/c7-4-3-5-1-2-6-4;/h1-3H,(H,6,7);/q;+1/p-1",PXEGUCRXJYLKLJ-UHFFFAOYSA-M,C4H3N2NaO,118.07,118.014307,,48.8,62,0,0,3,0,8,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRAZINE-2,3-DICARBOXYLIC ACID",000089-01-0,66628,"pyrazine-2,3-dicarboxylic acid",C1=CN=C(C(=N1)C(=O)O)C(=O)O,"InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)",ZUCRGHABDDWQPY-UHFFFAOYSA-N,C6H4N2O4,168.11,168.0171066,-0.7,100,184,0,2,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRAZINEMETHANETHIOL,059021-02-2,62145,pyrazin-2-ylmethanethiol,C1=CN=C(C=N1)CS,"InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2",VQFGDOHENLRPFB-UHFFFAOYSA-N,C5H6N2S,126.18,126.0251694,0,26.8,67,0,1,3,1,8,,44.00 to 45.00 °C. @ 0.07 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PYRAZINE, 2-ETHYL-3-(METHYLTHIO)-",072987-62-3,175366,2-ethyl-3-methylsulfanylpyrazine,CCC1=NC=CN=C1SC,"InChI=1S/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3",XYHPPOMSLGJAAM-UHFFFAOYSA-N,C7H10N2S,154.24,154.0564695,2.2,51.1,97,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMINOPYRAZINE,005049-61-6,78747,pyrazin-2-amine,C1=CN=C(C=N1)N,"InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)",XFTQRUTUGRCSGO-UHFFFAOYSA-N,C4H5N3,95.1,95.04834717,-0.1,51.8,54,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRAZINE CARBOXYLIC ACID,000098-97-5,1047,pyrazine-2-carboxylic acid,C1=CN=C(C=N1)C(=O)O,"InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)",NIPZZXUFJPQHNH-UHFFFAOYSA-N,C5H4N2O2,124.1,124.0272774,0.1,63.1,116,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPYRAZINE-2-CARBOXYLIC ACID,005424-01-1,72656,3-aminopyrazine-2-carboxylic acid,C1=CN=C(C(=N1)C(=O)O)N,"InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)",ZAGZIOYVEIDDJA-UHFFFAOYSA-N,C5H5N3O2,139.11,139.0381764,-0.2,89.1,139,0,2,5,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINECARBOXYLIC ACID, METHYL ESTER",006164-79-0,72662,methyl pyrazine-2-carboxylate,COC(=O)C1=NC=CN=C1,"InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3",TWIIRMSFZNYMQE-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,-0.2,52.1,127,0,0,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRACHLOROPYRAZINE,013484-50-9,311820,"2,3,5,6-tetrachloropyrazine",C1(=C(N=C(C(=N1)Cl)Cl)Cl)Cl,InChI=1S/C4Cl4N2/c5-1-2(6)10-4(8)3(7)9-1,OSISQXHQGOYLNG-UHFFFAOYSA-N,C4Cl4N2,217.9,217.878609,3.6,25.8,95,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRAZINEMETHANOL,006705-33-5,201734,pyrazin-2-ylmethanol,C1=CN=C(C=N1)CO,"InChI=1S/C5H6N2O/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2",LFCWHDGQCWJKCG-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-1,46,67,0,1,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PYRAZINECARBOXALDEHYDE,005780-66-5,11274980,pyrazine-2-carbaldehyde,C1=CN=C(C=N1)C=O,InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H,DXBWJLDFSICTIH-UHFFFAOYSA-N,C5H4N2O,108.1,108.0323628,-0.4,42.9,84,0,0,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2,6-DICHLORO-",004774-14-5,78504,"2,6-dichloropyrazine",C1=C(N=C(C=N1)Cl)Cl,InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H,LSEAAPGIZCDEEH-UHFFFAOYSA-N,C4H2Cl2N2,148.98,147.9595035,1.5,25.8,70,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-METHYL-3-PROPYL-",015986-80-8,85224,2-methyl-3-propylpyrazine,CCCC1=NC=CN=C1C,"InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3",XAWKNALRUSOTOY-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.6,25.8,93,0,0,2,2,10,,189.00 to 190.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-PYRAZINYL-",022047-25-2,30914,1-pyrazin-2-ylethanone,CC(=O)C1=NC=CN=C1,"InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3",DBZAKQWXICEWNW-UHFFFAOYSA-N,C6H6N2O,122.12,122.0480128,0.2,42.9,114,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-METHOXY-3-(2-METHYLPROPYL)-",024683-00-9,32594,2-methoxy-3-(2-methylpropyl)pyrazine,CC(C)CC1=NC=CN=C1OC,"InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3",UXFSPRAGHGMRSQ-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,2.6,35,128,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-ETHOXY-3-METHYL-",032737-14-7,122941,2-ethoxy-3-methylpyrazine,CCOC1=NC=CN=C1C,"InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",MMKWCKGYULOKET-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,1.8,35,97,0,0,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-METHOXY-5-(2-METHYLPROPYL)-",036330-05-9,118950,2-methoxy-5-(2-methylpropyl)pyrazine,CC(C)CC1=CN=C(C=N1)OC,"InChI=1S/C9H14N2O/c1-7(2)4-8-5-11-9(12-3)6-10-8/h5-7H,4H2,1-3H3",UUQFBIDVEIWACK-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,1.7,35,128,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-ETHOXYMETHYL-",065504-94-1,103404,2-(ethoxymethyl)pyrazine,CCOCC1=NC=CN=C1,"InChI=1S/C7H10N2O/c1-2-10-6-7-5-8-3-4-9-7/h3-5H,2,6H2,1H3",HAKYWHMNHHQQJR-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,-0.2,35,87,0,0,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-METHYL-6-PROPOXY-",067845-28-7,100240,2-methyl-6-propoxypyrazine,CCCOC1=NC(=CN=C1)C,"InChI=1S/C8H12N2O/c1-3-4-11-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3",RSYNIAMYGDKFMO-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,2.3,35,108,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-PYRAZINEDICARBOXYLIC ACID DIHYDRATE",205692-63-3,2724947,"pyrazine-2,5-dicarboxylic acid;dihydrate",C1=C(N=CC(=N1)C(=O)O)C(=O)O.O.O,"InChI=1S/C6H4N2O4.2H2O/c9-5(10)3-1-7-4(2-8-3)6(11)12;;/h1-2H,(H,9,10)(H,11,12);2*1H2",GVEVNOSZLMMBOR-UHFFFAOYSA-N,C6H8N2O6,204.14,204.038236,,102,184,0,4,8,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazine, 3-chloro-2,5-dimethyl-",95-89-6,66771,"3-chloro-2,5-dimethylpyrazine",CC1=CN=C(C(=N1)Cl)C,"InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3",NNBALVIZMGWZHS-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,1.5,25.8,97,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-",2609-46-3,16231,"3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide",C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N,"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",XSDQTOBWRPYKKA-UHFFFAOYSA-N,C6H8ClN7O,229.63,229.0478856,-0.7,159,279,0,4,5,1,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyrazinecarboxamide, thio-",4604-72-2,2797467,pyrazine-2-carbothioamide,C1=CN=C(C=N1)C(=S)N,"InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",LIURPUMROGYCLW-UHFFFAOYSA-N,C5H5N3S,139.18,139.0204184,0,83.9,115,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Androst-4-en-3-one, 17-alpha-hydroxy-",000481-30-1,10204,"(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",MUMGGOZAMZWBJJ-KZYORJDKSA-N,C19H28O2,288.4,288.2089301,3.3,37.3,508,0,1,2,0,21,,,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Estr-4-en-3-one, 17-beta-hydroxy-, decanoate",000360-70-3,9677,"[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate",CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",JKWKMORAXJQQSR-MOPIKTETSA-N,C28H44O3,428.6,428.3290453,7.3,43.4,680,0,0,3,10,31,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17-beta-hydroxy-17-alpha-methylestr-4-en-3-one,000514-61-4,5284597,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1",ZXSWTMLNIIZPET-ZOFHRBRSSA-N,C19H28O2,288.4,288.2089301,2.8,37.3,508,0,1,2,0,21,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 6-beta-hydroxy-",000604-19-3,200149,"(6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C,"InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m0/s1",PWCLWZOSAFOXFL-CXICGXRGSA-N,C21H30O3,330.5,330.2194948,2.6,54.4,621,0,1,3,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TESTOSTERONE,000058-22-0,6013,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",MUMGGOZAMZWBJJ-DYKIIFRCSA-N,C19H28O2,288.4,288.2089301,3.3,37.3,508,0,1,2,0,21,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
17-acetoxy-19-Nor-17-alpha-pregn-4-en-20-yn-3-one,000051-98-9,5832,"[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",IMONTRJLAWHYGT-ZCPXKWAGSA-N,C22H28O3,340.5,340.2038448,3.5,43.4,695,0,0,3,3,25,,,1,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
(17.BETA.)-17-(1-OXOPROPOXY)ANDROST-4-EN-3-ONE,000057-85-2,5995,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",PDMMFKSKQVNJMI-BLQWBTBKSA-N,C22H32O3,344.5,344.2351449,4.4,43.4,621,0,0,3,3,25,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"17-(acetyloxy)-6-methyl-(6-alpha)-Pregn-4-ene-3,20-dione",000071-58-9,6279,"[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",PSGAAPLEWMOORI-PEINSRQWSA-N,C24H34O4,386.5,386.2457096,4.1,60.4,767,0,0,4,3,28,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-en-3-one, 20-beta-hydroxy-",000145-15-3,92747,"(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1",RWBRUCCWZPSBFC-SJOKZOANSA-N,C21H32O2,316.5,316.2402303,4.2,37.3,550,0,1,2,1,23,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
TESTOSTERONE ENANTHATE,000315-37-7,9416,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate",CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1",VOCBWIIFXDYGNZ-IXKNJLPQSA-N,C26H40O3,400.6,400.2977451,6.3,43.4,679,0,0,3,7,29,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (8-alpha,9-beta,10-al",000797-64-8,62929,"(8S,9R,10S,13R,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",CC[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@@H]34,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m1/s1",WWYNJERNGUHSAO-XHCJJCCMSA-N,C21H28O2,312.4,312.2089301,3.3,37.3,609,0,1,2,2,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"TESTOSTERONE, ACETATE",001045-69-8,92145,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1",DJPZSBANTAQNFN-PXQJOHHUSA-N,C21H30O3,330.5,330.2194948,3.9,43.4,606,0,0,3,2,24,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Nor-17-alpha-pregnen-20-ynone, 17-beta-heptanoyloxy-",003836-23-5,229295,"[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate",CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C,"InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1",APTGJECXMIKIET-WOSSHHRXSA-N,C27H38O3,410.6,410.2820951,6,43.4,770,0,0,3,8,30,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"TESTOSTERONE, UNDECANOATE (ESTER)",005949-44-0,65157,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate",CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",UDSFVOAUHKGBEK-CNQKSJKFSA-N,C30H48O3,456.7,456.3603454,8.5,43.4,739,0,0,3,11,33,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Norpregn-4-ene-3,20-dione, 17-alpha-hydroxy-, acetate",,134963,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C,"InChI=1S/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",MTSLFKWJINJVBO-ZCPXKWAGSA-N,C22H30O4,358.5,358.2144094,3.2,60.4,692,0,0,4,3,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
19-NORTESTOSTERONE,000434-22-0,9904,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N,C18H26O2,274.4,274.1932801,2.6,37.3,466,0,1,2,0,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROCORTISONE 21-HEMISUCCINATE SODIUM,000125-04-2,23694214,"sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)[O-])O)C)O.[Na+],"InChI=1S/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1",HHZQLQREDATOBM-CODXZCKSSA-M,C25H33NaO8,484.5,484.2073123,,141,915,0,2,8,7,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
REICHSTEIN'S SUBSTANCE S,000152-58-9,440707,"(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N,C21H30O4,346.5,346.2144094,2.5,74.6,652,0,2,4,2,25,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
11A-HYDROXYPROGESTERONE,000080-75-1,92730,"(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C,"InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1",BFZHCUBIASXHPK-QJSKAATBSA-N,C21H30O3,330.5,330.2194948,2.4,54.4,621,0,1,3,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cortisol, 21-acetate",000050-03-3,5744,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,404.5,404.2198887,2.2,101,786,0,2,6,4,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-",000127-31-1,31378,"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",AAXVEMMRQDVLJB-BULBTXNYSA-N,C21H29FO5,380.4,380.1999022,1.7,94.8,734,0,3,6,2,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"TESTOSTERONE, HYDROGEN SUCCINATE",000521-15-3,119202,"4-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1",CJQNBXFUHQZFOE-VYAQIDIUSA-N,C23H32O5,388.5,388.2249741,3.3,80.7,725,0,1,5,5,28,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
17-beta-hydroxy-17-methyl-Androst-4-en-3-one,000058-18-4,6010,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",GCKMFJBGXUYNAG-HLXURNFRSA-N,C20H30O2,302.5,302.2245802,3.4,37.3,550,0,1,2,0,22,41 °F,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cortisol, 17-butyrate",013609-67-1,26133,"[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate",CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,432.5,432.2511889,3.2,101,817,0,2,6,6,31,,,0,1,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0
"(+)-13-ethyl-17-hydroxy-18,19-Dinor-17-alpha-pregn-4-en-20-yn-3-one",000797-63-7,13109,"(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",WWYNJERNGUHSAO-XUDSTZEESA-N,C21H28O2,312.4,312.2089301,3.3,37.3,609,0,1,2,2,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
NORETHINDRONE,000068-22-4,6230,"(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",VIKNJXKGJWUCNN-XGXHKTLJSA-N,C20H26O2,298.4,298.1932801,3,37.3,594,0,1,2,1,22,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-11-methyl-, (11-beta)-",025092-41-5,9820838,"[(8R,9S,10R,11S,13S,14S,17R)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",C[C@H]1C[C@]2([C@@H](CC[C@@]2(C(=O)C)OC(=O)C)[C@H]3[C@H]1[C@H]4CCC(=O)C=C4CC3)C,"InChI=1S/C23H32O4/c1-13-12-22(4)20(9-10-23(22,14(2)24)27-15(3)25)19-7-5-16-11-17(26)6-8-18(16)21(13)19/h11,13,18-21H,5-10,12H2,1-4H3/t13-,18-,19-,20-,21+,22-,23-/m0/s1",IWSXBCZCPVUWHT-VIFKTUCRSA-N,C23H32O4,372.5,372.2300595,3.1,60.4,722,0,0,4,3,27,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HYDROCORTOSINE SODIUM PHOSPHATE,006000-74-4,441406,"disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)([O-])[O-])O)C)O.[Na+].[Na+],"InChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1",RYJIRNNXCHOUTQ-OJJGEMKLSA-L,C21H29Na2O8P,486.4,486.1395434,,147,836,0,2,8,3,32,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cortisol, 17-butyrate, 21-propionate",072590-77-3,636398,"[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate",CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,488.6,488.2774036,4.2,107,938,0,1,7,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
CORTICOSTERONE,000050-22-6,5753,"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1",OMFXVFTZEKFJBZ-HJTSIMOOSA-N,C21H30O4,346.5,346.2144094,1.9,74.6,638,0,2,4,2,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Corticosterone, 21-acetate",001173-26-8,255846,"[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C,"InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1",WKQCPUMQBMFPLC-ZWFCQKKLSA-N,C23H32O5,388.5,388.2249741,2.5,80.7,739,0,1,5,4,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
PROGESTERONE,000057-83-0,5994,"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",RJKFOVLPORLFTN-LEKSSAKUSA-N,C21H30O2,314.5,314.2245802,3.9,34.1,589,0,0,2,1,23,,394.13°C (rough estimate),0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-en-3-one, 20-alpha-hydroxy-",000145-14-2,8956,"(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1",RWBRUCCWZPSBFC-RXRZZTMXSA-N,C21H32O2,316.5,316.2402303,4.2,37.3,550,0,1,2,1,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 17-hydroxy-, acetate",000302-23-8,10156152,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C,"InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1",VTHUYJIXSMGYOQ-KOORYGTMSA-N,C23H32O4,372.5,372.2300595,3.7,60.4,737,0,0,4,3,27,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17-dihydroxy-, 17-acetate",002529-45-5,10476437,"[(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C,"InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1",JKQQZJHNUVDHKP-FQJIPJFPSA-N,C23H31FO5,406.5,406.2155523,2.3,80.7,820,0,1,6,3,29,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
OXABOLONE,004721-69-1,20055236,"(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)O,"InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1",GXHBCWCMYVTJOW-YGRHGMIBSA-N,C18H26O3,290.4,290.1881947,2.5,57.5,509,0,2,3,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CALUSTERONE,017021-26-0,28204,"(7S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1",IVFYLRMMHVYGJH-PVPPCFLZSA-N,C21H32O2,316.5,316.2402303,3.6,37.3,578,0,1,2,0,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
21-HYDROXYPROGESTERONE,000064-85-7,6166,"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1",ZESRJSPZRDMNHY-YFWFAHHUSA-N,C21H30O3,330.5,330.2194948,2.9,54.4,606,0,1,3,2,24,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
17-hydroxy-19-Nor-17-alpha-pregn-4-en-3-one,000052-78-8,5858,"(8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O,"InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",ZDHCJEIGTNNEMY-XGXHKTLJSA-N,C20H30O2,302.5,302.2245802,3.3,37.3,522,0,1,2,1,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
4-CHLORO-17BETA-HYDROXYANDROST-4-EN-3-ONE (CLOSTEBOL),001093-58-9,68947,"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)Cl,"InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1",KCZCIYZKSLLNNH-FBPKJDBXSA-N,C19H27ClO2,322.9,322.1699578,4.2,37.3,554,0,1,2,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 6-alpha-chloro-17-hydroxy-, acetate",002477-73-8,200665,"[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C,"InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1",DCVGANSDLNPXGO-WXLIAARGSA-N,C23H31ClO4,406.9,406.1910872,3.7,60.4,773,0,0,4,3,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17A-HYDROXYPROGESTERONE,000068-96-2,6238,"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",DBPWSSGDRRHUNT-CEGNMAFCSA-N,C21H30O3,330.5,330.2194948,3.2,54.4,635,0,1,3,1,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"11-Deoxycorticosterone, acetate",000056-47-3,5952,"[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1",VPGRYOFKCNULNK-ACXQXYJUSA-N,C23H32O4,372.5,372.2300595,3.1,60.4,707,0,0,4,4,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-",000434-03-7,5284557,"(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C,"InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",CHNXZKVNWQUJIB-CEGNMAFCSA-N,C21H28O2,312.4,312.2089301,3.5,37.3,637,0,1,2,1,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate",000630-56-8,169870,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate",CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C,"InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1",DOMWKUIIPQCAJU-LJHIYBGHSA-N,C27H40O4,428.6,428.2926598,5.7,60.4,797,0,0,4,7,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"17-beta-hydroxy-7-alpha,17-dimethyl-Estr-4-en-3-one",003704-09-4,251636,"(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O,"InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1",PTQMMNYJKCSPET-OMHQDGTGSA-N,C20H30O2,302.5,302.2245802,3.2,37.3,536,0,1,2,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HYDROCORTISONE,000050-23-7,5754,"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,362.5,362.2093241,1.6,94.8,684,0,3,5,2,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
REICHSTEIN'S SUBSTANCE S 21-ACETATE,000640-87-9,101816,"[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,"InChI=1S/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1",HPAKILCZTKWIFK-JZTHCNPZSA-N,C23H32O5,388.5,388.2249741,2.5,80.7,754,0,1,5,4,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
FLUOXYMESTERONE,000076-43-7,6446,"(8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",YLRFCQOZQXIBAB-RBZZARIASA-N,C20H29FO3,336.4,336.2100729,2.4,57.5,630,0,2,4,0,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
4-PREGNENE-11-B-17-A-DIOL-3-20-DIONE,000641-77-0,92827,"(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,"InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1",LCZBQMKVFQNSJR-UJPCIWJBSA-N,C21H30O4,346.5,346.2144094,1.7,74.6,667,0,2,4,1,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"OXYMESTERONE (ANAMIDOL, BALNIMAX, ORANABOL, ORANABOL 10 )",000145-12-0,72061,"(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,"InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",RXXBBHGCAXVBES-XMUHMHRVSA-N,C20H30O3,318.4,318.2194948,3.2,57.5,594,0,2,3,0,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 17-hydroxy-6-alpha-methyl-",000520-85-4,10631,"(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",FRQMUZJSZHZSGN-HBNHAYAOSA-N,C22H32O3,344.5,344.2351449,3.5,54.4,664,0,1,3,1,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Nor-17-alpha-preg-4-en-20-yn-3-one, 17-hydroxy-7-alpha-methyl-",001162-60-3,22814761,"(7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O,"InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1",WAOKMNBZWBGYIK-KIURNNQRSA-N,C21H28O2,312.4,312.2089301,3.2,37.3,623,0,1,2,1,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Androst-4-ene-17-carboxylic acid, 3-oxo-, (17-beta)-",000302-97-6,99472,"(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1",YQACAXHKQZCEOI-UDCWSGSHSA-N,C20H28O3,316.4,316.2038448,3.7,54.4,592,0,1,3,1,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
CHOLEST-4-EN-3-ONE,000601-57-0,91477,"(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",NYOXRYYXRWJDKP-GYKMGIIDSA-N,C27H44O,384.6,384.339216,8.4,17.1,630,0,0,1,5,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CHLOROTESTOSTERONE 17-ACETATE (CLOSTEBOL ACETATE),000855-19-6,13327,"[(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C,"InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1",XYGMEFJSKQEBTO-KUJXMBTLSA-N,C21H29ClO3,364.9,364.1805225,4.7,43.4,654,0,0,3,2,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Androst-4-en-3-one, 17-beta-hydroxy-17-methyl-, and 19-nor-17-alpha-pregna-1,3",,250294,"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC2)C,"InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1",MSEZLHAVPJYYIQ-VMXHOPILSA-N,C19H28O,272.4,272.2140155,4.9,17.1,476,0,0,1,0,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-, 21-acetate",514-36-3,225609,"[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O,"InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",SYWHXTATXSMDSB-GSLJADNHSA-N,C23H31FO6,422.5,422.2104669,1.7,101,838,0,2,7,4,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-",808-48-0,11876263,"[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1",VVOIQBFMTVCINR-WWMZEODYSA-N,C26H38O4,414.6,414.2770097,4.5,60.4,787,0,0,4,5,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Norpregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate",1253-28-7,443881,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate",CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C(=O)C,"InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1",XURCMZMFZXXQDJ-UKNJCJGYSA-N,C26H38O4,414.6,414.2770097,5.1,60.4,752,0,0,4,7,30,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Preg-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11-beta)-",2203-97-6,16623,"4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,462.5,462.225368,1.8,138,908,0,3,8,7,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Estr-4-en-3-one, 17-hydroxy-7-methyl-, (7-alpha,17-beta)-",3764-87-2,9838899,"(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O,"InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1",YSGQGNQWBLYHPE-CFUSNLFHSA-N,C19H28O2,288.4,288.2089301,2.9,37.3,494,0,1,2,0,21,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cortisol, 21-butyrate",6677-99-2,10365526,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate",CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O,"InChI=1S/C25H36O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",YZNQMPPBWQTLFJ-TUFAYURCSA-N,C25H36O6,432.5,432.2511889,3.1,101,817,0,2,6,6,31,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Androst-4-en-3-one, 17-((4-methyl-1-oxopentyl)oxy)-, (17-beta)-",15262-86-9,231084,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate",CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1",PPYHLSBUTAPNGT-BKWLFHPQSA-N,C25H38O3,386.6,386.2820951,5.5,43.4,677,0,0,3,5,28,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 21-((2,2-dimethyl-1-oxopropyl)thio)-11,17-dihydroxy-, (11-beta)-",55560-96-8,15052414,"S-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanethioate",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CSC(=O)C(C)(C)C)O)C)O,"InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",BISFDZNIUZIKJD-XDANTLIUSA-N,C26H38O5S,462.6,462.2439955,3.6,117,872,0,2,6,5,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-((1-oxopentyl)oxy)-, (11-beta)-",57524-89-7,5282494,"[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate",CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,446.6,446.2668389,3.8,101,832,0,2,6,7,32,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-(1-oxopropoxy)-, (11-beta)-",74050-20-7,68921,"[(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,460.6,460.2461035,3.3,107,906,0,1,7,7,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
2-HYDRAZINOBENZOTHIAZOLE,000615-21-4,11988,"1,3-benzothiazol-2-ylhydrazine",C1=CC=C2C(=C1)N=C(S2)NN,"InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)",JYSUYJCLUODSLN-UHFFFAOYSA-N,C7H7N3S,165.22,165.0360684,1.8,79.2,142,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2-CHLORO-",000615-20-3,11987,"2-chloro-1,3-benzothiazole",C1=CC=C2C(=C1)N=C(S2)Cl,InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,BSQLQMLFTHJVKS-UHFFFAOYSA-N,C7H4ClNS,169.63,168.975298,3.2,41.1,131,0,0,2,0,10,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BENZOTHIAZOLAMINE, 6-(METHYLSULFONYL)-",017557-67-4,87152,"6-methylsulfonyl-1,3-benzothiazol-2-amine",CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N,"InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)",ZYHNHJAMVNINSY-UHFFFAOYSA-N,C8H8N2O2S2,228.3,228.0027199,1.3,110,312,0,1,5,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOTHIAZOLECARBOXAMIDINE,,318132,"1,3-benzothiazole-2-carboximidamide",C1=CC=C2C(=C1)N=C(S2)C(=N)N,"InChI=1S/C8H7N3S/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H3,9,10)",UYCSUJHXRRURIX-UHFFFAOYSA-N,C8H7N3S,177.23,177.0360684,1.6,91,195,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOTHIAZOLE,000095-16-9,7222,"1,3-benzothiazole",C1=CC=C2C(=C1)N=CS2,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,2,41.1,105,0,0,2,0,9,,227-228 °C AT 765 MM HG,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, (2-BENZOTHIAZOLYLTHIO)-",006295-57-4,80525,"2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid",C1=CC=C2C(=C1)N=C(S2)SCC(=O)O,"InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)",ZZUQWNYNSKJLPI-UHFFFAOYSA-N,C9H7NO2S2,225.3,224.9918208,2.7,104,225,0,1,5,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
5-FLUORO-2-METHYLBENZOTHIAZOLE,000399-75-7,597437,"5-fluoro-2-methyl-1,3-benzothiazole",CC1=NC2=C(S1)C=CC(=C2)F,"InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",LDBFGRGBYVULTJ-UHFFFAOYSA-N,C8H6FNS,167.21,167.0204985,2.9,41.1,153,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 6-CHLORO-",000095-24-9,7226,"6-chloro-1,3-benzothiazol-2-amine",C1=CC2=C(C=C1Cl)SC(=N2)N,"InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)",VMNXKIDUTPOHPO-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.9,67.2,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2,5-DIMETHYL-",000095-26-1,7227,"2,5-dimethyl-1,3-benzothiazole",CC1=CC2=C(C=C1)SC(=N2)C,"InChI=1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3",XHANCLXYCNTZMM-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,3.1,41.1,148,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOTHIAZOLAMINE,000136-95-8,8706,"1,3-benzothiazol-2-amine",C1=CC=C2C(=C1)N=C(S2)N,"InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)",UHGULLIUJBCTEF-UHFFFAOYSA-N,C7H6N2S,150.2,150.0251694,1.9,67.2,129,0,1,3,0,10,,"Decomposes (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLE, 5-CHLORO-2-METHYL-",001006-99-1,13873,"5-chloro-2-methyl-1,3-benzothiazole",CC1=NC2=C(S1)C=CC(=C2)Cl,"InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",XCALAYIRFYALSX-UHFFFAOYSA-N,C8H6ClNS,183.66,182.9909481,3.4,41.1,153,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 4-METHYL-",001477-42-5,15132,"4-methyl-1,3-benzothiazol-2-amine",CC1=C2C(=CC=C1)SC(=N2)N,"InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)",GRIATXVEXOFBGO-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2.4,67.2,151,0,1,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BENZOTHIAZOLAMINE, 6-METHOXY-",001747-60-0,15630,"6-methoxy-1,3-benzothiazol-2-amine",COC1=CC2=C(C=C1)N=C(S2)N,"InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)",KZHGPDSVHSDCMX-UHFFFAOYSA-N,C8H8N2OS,180.23,180.0357341,2.4,76.4,167,0,1,4,1,12,,"464 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2-METHYL-6-NITRO-",002941-63-1,76250,"2-methyl-6-nitro-1,3-benzothiazole",CC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C8H6N2O2S/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3",YAQKYKGFPQPPQE-UHFFFAOYSA-N,C8H6N2O2S,194.21,194.0149986,2.6,87,219,0,0,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 6-METHOXY-2-METHYL-",002941-72-2,76254,"6-methoxy-2-methyl-1,3-benzothiazole",CC1=NC2=C(S1)C=C(C=C2)OC,"InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3",DYHLJSUORLPGNT-UHFFFAOYSA-N,C9H9NOS,179.24,179.0404851,2.8,50.4,165,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 6-NITRO-",006285-57-0,22704,"6-nitro-1,3-benzothiazol-2-amine",C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N,"InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)",GPNAVOJCQIEKQF-UHFFFAOYSA-N,C7H5N3O2S,195.2,195.0102476,2.1,113,220,0,1,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-BENZOTHIAZOLAMINE, 2-METHYL-",013382-43-9,36229,"2-methyl-1,3-benzothiazol-5-amine",CC1=NC2=C(S1)C=CC(=C2)N,"InChI=1S/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3",GPWQHYMVUZYWIK-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2.1,67.2,151,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 6-BROMO-",015864-32-1,85149,"6-bromo-1,3-benzothiazol-2-amine",C1=CC2=C(C=C1Br)SC(=N2)N,"InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)",VZEBSJIOUMDNLY-UHFFFAOYSA-N,C7H5BrN2S,229.1,227.93568,2.9,67.2,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2(3H)-BENZOTHIAZOLONE, 4-METHYL-, HYDRAZONE",020174-68-9,88394,"(4-methyl-1,3-benzothiazol-2-yl)hydrazine",CC1=C2C(=CC=C1)SC(=N2)NN,"InChI=1S/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11)",DYWNRVWOUASMDT-UHFFFAOYSA-N,C8H9N3S,179.24,179.0517185,2.3,79.2,164,0,2,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-BENZOTHIAZOLESULFONIC ACID, 2-AMINO-",021951-32-6,89112,"2-amino-1,3-benzothiazole-6-sulfonic acid",C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)N,"InChI=1S/C7H6N2O3S2/c8-7-9-5-2-1-4(14(10,11)12)3-6(5)13-7/h1-3H,(H2,8,9)(H,10,11,12)",CKAGMVXJHAZUBL-UHFFFAOYSA-N,C7H6N2O3S2,230.3,229.9819844,0.8,130,313,0,2,6,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BENZOTHIAZOLAMINE, 4-(TRIFLUOROMETHYL)-",060388-36-5,108937,"4-(trifluoromethyl)-1,3-benzothiazol-2-amine",C1=CC(=C2C(=C1)SC(=N2)N)C(F)(F)F,"InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13)",FGZBTCDIPNGYRC-UHFFFAOYSA-N,C8H5F3N2S,218.2,218.0125538,2.9,67.2,221,0,1,6,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 5,6-DIMETHOXY-2-METHYL-",062306-04-1,112829,"5,6-dimethoxy-2-methyl-1,3-benzothiazole",CC1=NC2=CC(=C(C=C2S1)OC)OC,"InChI=1S/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3",SOWIEKUNTPLSOC-UHFFFAOYSA-N,C10H11NO2S,209.27,209.0510498,2.7,59.6,203,0,0,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
6-AMINO-2-(METHYLTHIO)-BENZOTHIAZOLE,,274151,"2-methylsulfanyl-1,3-benzothiazol-6-amine",CSC1=NC2=C(S1)C=C(C=C2)N,"InChI=1S/C8H8N2S2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3",GYCJZSAIEMSFAV-UHFFFAOYSA-N,C8H8N2S2,196.3,196.0128906,2.4,92.5,165,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-(THIOCYANOMETHYLTHIO) BENZOTHIAZOLE,021564-17-0,30692,"1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate",C1=CC=C2C(=C1)N=C(S2)SCSC#N,"InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2",TUBQDCKAWGHZPF-UHFFFAOYSA-N,C9H6N2S3,238.4,237.9693117,3.1,116,237,0,0,5,3,14,,191 °C (decomposes),1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2(3H)-BENZOTHIAZOLETHIONE, SODIUM SALT",002492-26-4,3714831,"sodium 1,3-benzothiazole-2-thiolate",C1=CC=C2C(=C1)N=C(S2)[S-].[Na+],"InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1",VLDHWMAJBNWALQ-UHFFFAOYSA-M,C7H4NNaS2,189.2,188.9682858,,42.1,134,0,0,3,0,11,"greater than 200 °F (NTP, 1992)","217 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
2-AMINO-6-BENZOTHIAZOLYL THIOCYANATE,007170-77-6,81600,"(2-amino-1,3-benzothiazol-6-yl) thiocyanate",C1=CC2=C(C=C1SC#N)SC(=N2)N,"InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)",FVNSRFMQXKMHTQ-UHFFFAOYSA-N,C8H5N3S2,207.3,206.9924895,2.6,116,237,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-BENZOTHIAZOLECARBOXYLIC ACID, 2-AMINO-",000093-85-6,66740,"2-amino-1,3-benzothiazole-6-carboxylic acid",C1=CC2=C(C=C1C(=O)O)SC(=N2)N,"InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)",ZEAKWWWXCZMODH-UHFFFAOYSA-N,C8H6N2O2S,194.21,194.0149986,1.8,104,224,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIETHYL-, 2-BENZOTHIAZOLYL ESTER",000095-30-7,7229,"1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate",CCN(CC)C(=S)SC1=NC2=CC=CC=C2S1,"InChI=1S/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3",LFMQNMXVVXHZCC-UHFFFAOYSA-N,C12H14N2S3,282.5,282.031912,4.2,102,268,0,0,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOTHIAZOLE, 2-METHYL-5-(TRIFLUOROMETHYL)-",000398-99-2,67857,"2-methyl-5-(trifluoromethyl)-1,3-benzothiazole",CC1=NC2=C(S1)C=CC(=C2)C(F)(F)F,"InChI=1S/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3",XXIOZBPOLWETSU-UHFFFAOYSA-N,C9H6F3NS,217.21,217.0173049,3.7,41.1,219,0,0,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzothiazolesulfonamide, 6-ethoxy-",000452-35-7,3295,"6-ethoxy-1,3-benzothiazole-2-sulfonamide",CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N,"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",OUZWUKMCLIBBOG-UHFFFAOYSA-N,C9H10N2O3S2,258.3,258.0132845,2,119,341,0,1,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2-(METHYLTHIO)-",000615-22-5,11989,"2-methylsulfanyl-1,3-benzothiazole",CSC1=NC2=CC=CC=C2S1,"InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3",UTBVIMLZIRIFFR-UHFFFAOYSA-N,C8H7NS2,181.3,181.0019916,3.1,66.4,140,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 6-METHYL-",002536-91-6,17335,"6-methyl-1,3-benzothiazol-2-amine",CC1=CC2=C(C=C1)N=C(S2)N,"InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)",DZWTXWPRWRLHIL-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2.4,67.2,151,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2-(ETHYLTHIO)-",002757-92-8,75993,"2-ethylsulfanyl-1,3-benzothiazole",CCSC1=NC2=CC=CC=C2S1,"InChI=1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3",HKIQFQKRAQSUJI-UHFFFAOYSA-N,C9H9NS2,195.3,195.0176416,2.7,66.4,151,0,0,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2-METHYL-5-NITRO-",002941-66-4,76251,"2-methyl-5-nitro-1,3-benzothiazole",CC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-],"InChI=1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3",VEWGTWPJKSPGCD-UHFFFAOYSA-N,C8H6N2O2S,194.21,194.0149986,2.6,87,219,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLE, 2,6-DIMETHYL-",002941-71-1,76253,"2,6-dimethyl-1,3-benzothiazole",CC1=CC2=C(C=C1)N=C(S2)C,"InChI=1S/C9H9NS/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3",JEKCSLMWKCKDCC-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,3.1,41.1,148,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BENZOTHIAZOLAMINE, 4-CHLORO-",019952-47-7,29872,"4-chloro-1,3-benzothiazol-2-amine",C1=CC2=C(C(=C1)Cl)N=C(S2)N,"InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)",OEQQFQXMCPMEIH-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.7,67.2,155,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANESULFONIC ACID, 3-(2-BENZOTHIAZOLYLTHIO)-, SODIUM SALT",049625-94-7,5073964,"sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate",C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1",VRKNGZAPJYUNSN-UHFFFAOYSA-M,C10H10NNaO3S3,311.4,310.972051,,132,347,0,0,6,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 6-CHLORO-, MONOHYDROCHLORIDE",061827-71-2,112751,"6-chloro-1,3-benzothiazol-2-amine;hydrochloride",C1=CC2=C(C=C1Cl)SC(=N2)N.Cl,"InChI=1S/C7H5ClN2S.ClH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H",ZVRNKXUJEHKKHW-UHFFFAOYSA-N,C7H6Cl2N2S,221.11,219.9628748,,67.2,155,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BENZOTHIAZOLAMINE, 5,6-DICHLORO-",024072-75-1,32206,"5,6-dichloro-1,3-benzothiazol-2-amine",C1=C2C(=CC(=C1Cl)Cl)SC(=N2)N,"InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)",GHKHTBMTSUEBJD-UHFFFAOYSA-N,C7H4Cl2N2S,219.09,217.9472247,3.3,67.2,181,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-TERT-BUTYL-2-BENZOTHIAZOSULFENAMIDE,000095-31-8,7230,"N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine",CC(C)(C)NSC1=NC2=CC=CC=C2S1,"InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3",IUJLOAKJZQBENM-UHFFFAOYSA-N,C11H14N2S2,238.4,238.0598408,3.4,78.5,215,0,1,4,3,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANAMIDE, N-(6-ETHOXY-2-BENZOTHIAZOLYL)-3-OXO-",004273-88-5,96209,"N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide",CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC(=O)C,"InChI=1S/C13H14N2O3S/c1-3-18-9-4-5-10-11(7-9)19-13(14-10)15-12(17)6-8(2)16/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)",GXFGVXXEQKKDGE-UHFFFAOYSA-N,C13H14N2O3S,278.33,278.0725135,3,96.5,351,0,1,5,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 6-amino-",533-30-2,68288,"1,3-benzothiazol-6-amine",C1=CC2=C(C=C1N)SC=N2,"InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2",FAYAYUOZWYJNBD-UHFFFAOYSA-N,C7H6N2S,150.2,150.0251694,1.3,67.2,129,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-6-trifluoromethoxy-",1744-22-5,5070,"6-(trifluoromethoxy)-1,3-benzothiazol-2-amine",C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",FTALBRSUTCGOEG-UHFFFAOYSA-N,C8H5F3N2OS,234.2,234.0074685,3.6,76.4,238,0,1,7,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(2-benzothiazolyl)-3-methyl-",1929-88-0,16007,"1-(1,3-benzothiazol-2-yl)-3-methylurea",CNC(=O)NC1=NC2=CC=CC=C2S1,"InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)",DTCJYIIKPVRVDD-UHFFFAOYSA-N,C9H9N3OS,207.25,207.0466331,1.6,82.3,224,0,2,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-(butylthio)-",2314-17-2,16838,"2-butylsulfanyl-1,3-benzothiazole",CCCCSC1=NC2=CC=CC=C2S1,"InChI=1S/C11H13NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3",PXSCUDKGNNWGBZ-UHFFFAOYSA-N,C11H13NS2,223.4,223.0489418,3.6,66.4,175,0,0,3,4,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, (2-benzothiazolyl)-",7/2/82,17415,"2-(1,3-benzothiazol-2-yl)guanidine",C1=CC=C2C(=C1)N=C(S2)N=C(N)N,"InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)",QMHWARSFUCGBJK-UHFFFAOYSA-N,C8H8N4S,192.24,192.0469675,1.1,106,214,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, ethylsulfonyl-",11/9/91,17428,"2-ethylsulfonyl-1,3-benzothiazole",CCS(=O)(=O)C1=NC2=CC=CC=C2S1,"InChI=1S/C9H9NO2S2/c1-2-14(11,12)9-10-7-5-3-4-6-8(7)13-9/h3-6H,2H2,1H3",ZYGPCLHWVYJMPA-UHFFFAOYSA-N,C9H9NO2S2,227.3,227.0074709,2.4,83.7,296,0,0,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-(2-hydroxyethylthio)-",4665-63-8,20790,"2-(1,3-benzothiazol-2-ylsulfanyl)ethanol",C1=CC=C2C(=C1)N=C(S2)SCCO,"InChI=1S/C9H9NOS2/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2",PYNOHHMFQYUSDD-UHFFFAOYSA-N,C9H9NOS2,211.3,211.0125563,1.6,86.7,168,0,1,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetoacetamide, N-(2-benzothiazolyl)-",4692-94-8,20820,"N-(1,3-benzothiazol-2-yl)-3-oxobutanamide",CC(=O)CC(=O)NC1=NC2=CC=CC=C2S1,"InChI=1S/C11H10N2O2S/c1-7(14)6-10(15)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3,(H,12,13,15)",KRVAVIMTIIEASB-UHFFFAOYSA-N,C11H10N2O2S,234.28,234.0462987,2.3,87.3,296,0,1,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2,6-diamino-",5407-51-2,21504,"1,3-benzothiazole-2,6-diamine",C1=CC2=C(C=C1N)SC(=N2)N,"InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)",HYBCFWFWKXJYFT-UHFFFAOYSA-N,C7H7N3S,165.22,165.0360684,1.3,93.2,153,0,2,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-4-methoxy-",5464-79-9,21622,"4-methoxy-1,3-benzothiazol-2-amine",COC1=C2C(=CC=C1)SC(=N2)N,"InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)",YEBCRAVYUWNFQT-UHFFFAOYSA-N,C8H8N2OS,180.23,180.0357341,2,76.4,167,0,1,4,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-amino-5,6-dimethoxy-",6294-52-6,94938,"5,6-dimethoxy-1,3-benzothiazol-2-amine",COC1=C(C=C2C(=C1)N=C(S2)N)OC,"InChI=1S/C9H10N2O2S/c1-12-6-3-5-8(4-7(6)13-2)14-9(10)11-5/h3-4H,1-2H3,(H2,10,11)",KJRDZJGBIBLGKB-UHFFFAOYSA-N,C9H10N2O2S,210.26,210.0462987,2,85.6,205,0,1,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-4-hydroxy-",3/6/71,24057,"2-amino-1,3-benzothiazol-4-ol",C1=CC(=C2C(=C1)SC(=N2)N)O,"InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9)",PFQJPSASUCHKRO-UHFFFAOYSA-N,C7H6N2OS,166.2,166.020084,1.7,87.4,155,0,2,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-(methylamino)-",16954-69-1,28160,"N-methyl-1,3-benzothiazol-2-amine",CNC1=NC2=CC=CC=C2S1,"InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)",QVKPPRYUGJFISN-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2.6,53.2,140,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(2-benzothiazolyl)-1,3-dimethyl-",18691-97-9,29216,"1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea",CNC(=O)N(C)C1=NC2=CC=CC=C2S1,"InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)",RRVIAQKBTUQODI-UHFFFAOYSA-N,C10H11N3OS,221.28,221.0622832,1.9,73.5,249,0,1,3,1,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-amino-5-chloro-",20358-00-3,30120,"5-chloro-1,3-benzothiazol-2-amine",C1=CC2=C(C=C1Cl)N=C(S2)N,"InChI=1S/C7H5ClN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)",AVVSRALHGMVQQW-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.9,67.2,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-7-chloro-",20358-01-4,30121,"7-chloro-1,3-benzothiazol-2-amine",C1=CC2=C(C(=C1)Cl)SC(=N2)N,"InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)",QLMIQSNEKFGKFN-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.7,67.2,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-6-hydroxy-",26278-79-5,33462,"2-amino-1,3-benzothiazol-6-ol",C1=CC2=C(C=C1O)SC(=N2)N,"InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)",VLNVTNUTGNBNBY-UHFFFAOYSA-N,C7H6N2OS,166.2,166.020084,1.9,87.4,155,0,2,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-amino-4-chloro-, hydrobromide",27058-83-9,198064,"4-chloro-1,3-benzothiazol-2-amine;hydrobromide",C1=CC2=C(C(=C1)Cl)N=C(S2)N.Br,"InChI=1S/C7H5ClN2S.BrH/c8-4-2-1-3-5-6(4)10-7(9)11-5;/h1-3H,(H2,9,10);1H",DXXACNSRSDYMOR-UHFFFAOYSA-N,C7H6BrClN2S,265.56,263.91236,,67.2,155,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 5-amino-2-methyl-, dihydrochloride",32770-99-3,16218943,"2-methyl-1,3-benzothiazol-5-amine;dihydrochloride",CC1=NC2=C(S1)C=CC(=C2)N.Cl.Cl,"InChI=1S/C8H8N2S.2ClH/c1-5-10-7-4-6(9)2-3-8(7)11-5;;/h2-4H,9H2,1H3;2*1H",ZNIGVBCUUZGYDU-UHFFFAOYSA-N,C8H10Cl2N2S,237.15,235.9941749,,67.2,151,0,3,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-5-methoxy-",54346-87-1,41055,"5-methoxy-1,3-benzothiazol-2-amine",COC1=CC2=C(C=C1)SC(=N2)N,"InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)",OMIHQJBWAPWLBO-UHFFFAOYSA-N,C8H8N2OS,180.23,180.0357341,2,76.4,167,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 2-amino-4,6-dimethyl-",64036-71-1,46372,"4,6-dimethyl-1,3-benzothiazol-2-amine",CC1=CC(=C2C(=C1)SC(=N2)N)C,"InChI=1S/C9H10N2S/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h3-4H,1-2H3,(H2,10,11)",JJNKKYPHNWIYFW-UHFFFAOYSA-N,C9H10N2S,178.26,178.0564695,2.8,67.2,174,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzothiazolesulfenamide, N-(1,1-dimethylpropyl)-",110799-28-5,5463784,"N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutan-2-amine",CCC(C)(C)NSC1=NC2=CC=CC=C2S1,"InChI=1S/C12H16N2S2/c1-4-12(2,3)14-16-11-13-9-7-5-6-8-10(9)15-11/h5-8,14H,4H2,1-3H3",WVVKGODKQODIJB-UHFFFAOYSA-N,C12H16N2S2,252.4,252.0754909,4.1,78.5,233,0,1,4,4,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, ((S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)-, 1-methylethyl ester",177406-68-7,53297381,"propan-2-yl N-[(2S)-1-[[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate",C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,"InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1",USRKFGIXLGKMKU-ABAIWWIYSA-N,C18H24FN3O3S,381.5,381.152241,3.9,109,506,0,2,6,7,26,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"Benzothiazole, 2-amino-, monohydrochloride",,3027575,"1,3-benzothiazol-2-amine;hydrochloride",C1=CC=C2C(=C1)N=C(S2)N.Cl,"InChI=1S/C7H6N2S.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H2,8,9);1H",UEQOZTASNGWDPC-UHFFFAOYSA-N,C7H7ClN2S,186.66,186.0018471,,67.2,129,0,2,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzothiazole-6-carbonitrile, 2-(1-methyl-1H-indol-3-yl)-",,10607144,"1,3-benzothiazole-6-carbonitrile",C1=CC2=C(C=C1C#N)SC=N2,"InChI=1S/C8H4N2S/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H",WYRRTJKOMZONQO-UHFFFAOYSA-N,C8H4N2S,160.2,160.0095193,1.7,64.9,196,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzothiazolepropanoic acid, beta-(aminomethyl)-",,770976,"3-(1,3-benzothiazol-2-yl)propanoic acid",C1=CC=C2C(=C1)N=C(S2)CCC(=O)O,"InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)",WHNQTHDJEZTVHS-UHFFFAOYSA-N,C10H9NO2S,207.25,207.0353997,2.4,78.4,222,0,1,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,3-DIMETHYLCYCLOPENTANE",001759-58-6,15656,"trans-(1R,3R)-1,3-dimethylcyclopentane",C[C@@H]1CC[C@H](C1)C,"InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1",XAZKFISIRYLAEE-RNFRBKRXSA-N,C7H14,98.19,98.10955045,3.2,0,49,0,0,0,0,7,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOPENTANE,000287-92-3,9253,cyclopentane,C1CCCC1,InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,RGSFGYAAUTVSQA-UHFFFAOYSA-N,C5H10,70.13,70.07825032,3,0,11,0,0,0,0,5,"less than 20 °F (USCG, 1999)","120.7 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOPENTANE,000096-37-7,7296,methylcyclopentane,CC1CCCC1,"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",GDOPTJXRTPNYNR-UHFFFAOYSA-N,C6H12,84.16,84.09390038,3.4,0,33,0,0,0,0,6,"-11 °F (NTP, 1992)","161.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOPENTYLAMINE,001003-03-8,2906,cyclopentanamine,C1CCC(C1)N,"InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2",NISGSNTVMOOSJQ-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.6,26,37,0,1,1,0,6,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
METHOXYCYCLOPENTANE,005614-37-9,138539,methoxycyclopentane,COC1CCCC1,"InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3",SKTCDJAMAYNROS-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,9.2,46,0,0,1,1,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPENTANE, CHLORO-",000930-28-9,70252,chlorocyclopentane,C1CCC(C1)Cl,"InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2",NDTCXABJQNJPCF-UHFFFAOYSA-N,C5H9Cl,104.58,104.039278,2.1,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CIS-1,3-DIMETHYLCYCLOPENTANE",002532-58-3,17326,"cis-(1S,3R)-1,3-dimethylcyclopentane",C[C@@H]1CC[C@@H](C1)C,"InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+",XAZKFISIRYLAEE-KNVOCYPGSA-N,C7H14,98.19,98.10955045,3.2,0,49,0,0,0,0,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIMETHYLCYCLOPENTANE",001638-26-2,15421,"1,1-dimethylcyclopentane",CC1(CCCC1)C,"InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3",QWHNJUXXYKPLQM-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.4,0,54,0,0,0,0,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLCYCLOPENTANE,001640-89-7,15431,ethylcyclopentane,CCC1CCCC1,"InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3",IFTRQJLVEBNKJK-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.5,0,42,0,0,0,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYLCYCLOPENTANE,002040-96-2,16270,propylcyclopentane,CCCC1CCCC1,"InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3",KDIAMAVWIJYWHN-UHFFFAOYSA-N,C8H16,112.21,112.1252005,4,0,51,0,0,0,2,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYLCYCLOPENTANE,003875-51-2,19751,propan-2-ylcyclopentane,CC(C)C1CCCC1,"InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3",TVSBRLGQVHJIKT-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.8,0,58,0,0,0,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
1-ETHYL-1-METHYLCYCLOPENTANE,016747-50-5,28030,1-ethyl-1-methylcyclopentane,CCC1(CCCC1)C,"InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3",LETYIFNDQBJGPJ-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.9,0,68,0,0,0,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(1ALPHA,2ALPHA,4BETA)-1,2,4-TRIMETHYLCYCLOPENTANE",004850-28-6,17779,"1,2,4-trimethylcyclopentane",CC1CC(C(C1)C)C,"InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3",PNUFYSGVPVMNRN-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.5,0,66,0,0,0,0,8,,,1,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"(1ALPHA,2BETA,4ALPHA)-1,2,4-TRIMETHYLCYCLOPENTANE",016883-48-0,6432297,"trans-(1R,2R)-1,2,4-trimethylcyclopentane",C[C@@H]1CC(C[C@H]1C)C,"InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1",PNUFYSGVPVMNRN-HTQZYQBOSA-N,C8H16,112.21,112.1252005,3.5,0,66,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"TRANS-1,2-DIMETHYLCYCLOPENTANE",000822-50-4,252359,"trans-(1R,2R)-1,2-dimethylcyclopentane",C[C@@H]1CCC[C@H]1C,"InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1",RIRARCHMRDHZAR-RNFRBKRXSA-N,C7H14,98.19,98.10955045,3.2,0,49,0,0,0,0,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTADIENYLCOBALT DICARBONYL,012078-25-0,117064874,carbon monoxide;cobalt;cyclopentane,[C-]#[O+].[C-]#[O+].C1CCCC1.[Co],InChI=1S/C5H10.2CO.Co/c1-2-4-5-3-1;2*1-2;/h1-5H2;;;,VQSFFOIABPEUJE-UHFFFAOYSA-N,C7H10CoO2,185.09,185.001273,,2,21,0,0,2,0,10,,,0,1,1,1,0,1,1,0,1,0,1,0,0,0,1,0,0,1,0,0
CYCLOPENTYL BROMIDE,000137-43-9,8728,bromocyclopentane,C1CCC(C1)Br,"InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2",BRTFVKHPEHKBQF-UHFFFAOYSA-N,C5H9Br,149.03,147.98876,2.3,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTANOL,000096-41-3,7298,cyclopentanol,C1CCC(C1)O,"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",XCIXKGXIYUWCLL-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.8,20.2,37,0,1,1,0,6,"124 °F (NFPA, 2010)",140.4 °C @ 760 MM HG,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BROMOCYCLOPENTANE-D9,035468-44-1,16213530,"1-bromo-1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane",[2H]C1(C(C(C(C1([2H])[2H])([2H])Br)([2H])[2H])([2H])[2H])[2H],"InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2/i1D2,2D2,3D2,4D2,5D",BRTFVKHPEHKBQF-UHUJFCCWSA-N,C5H9Br,158.08,157.04525,2.3,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-ETHYLCYCLOPENTANOL,001462-96-0,137018,1-ethylcyclopentan-1-ol,CCC1(CCCC1)O,"InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3",LPCWIFPJLFCXRS-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.5,20.2,72,0,1,1,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTANEPROPANOIC ACID,000140-77-2,8818,3-cyclopentylpropanoic acid,C1CCC(C1)CCC(=O)O,"InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)",ZRPLANDPDWYOMZ-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.3,37.3,114,0,1,2,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPENTANE, IODO-",001556-18-9,73784,iodocyclopentane,C1CCC(C1)I,"InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2",PCEBAZIVZVIQEO-UHFFFAOYSA-N,C5H9I,196.03,195.9749,3.6,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOPENTANETHIOL,001679-07-8,15510,cyclopentanethiol,C1CCC(C1)S,"InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2",WVDYBOADDMMFIY-UHFFFAOYSA-N,C5H10S,102.2,102.0503215,1.8,1,37,0,1,1,0,6,,41.00 to 42.00 °C. @ 16.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANOL, 1-ETHYNYL-",017356-19-3,87074,1-ethynylcyclopentan-1-ol,C#CC1(CCCC1)O,"InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2",LQMDOONLLAJAPZ-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.2,20.2,123,0,1,1,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BUTYLCYCLOPENTANE,002040-95-1,16269,butylcyclopentane,CCCCC1CCCC1,"InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3",ZAGHKONXGGSVDV-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.6,0,60,0,0,0,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYLCYCLOPENTANE,003788-32-7,77414,2-methylpropylcyclopentane,CC(C)CC1CCCC1,"InChI=1S/C9H18/c1-8(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3",DPUYDFJBHDYVQM-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.3,0,68,0,0,0,2,9,,,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-METHYLCYCLOPENTANOL,001462-03-9,73830,1-methylcyclopentan-1-ol,CC1(CCCC1)O,"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",CAKWRXVKWGUISE-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1,20.2,62,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
CYCLOLEUCINE,000052-52-8,2901,1-aminocyclopentane-1-carboxylic acid,C1CCC(C1)(C(=O)O)N,"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",NILQLFBWTXNUOE-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-2.6,63.3,127,0,2,3,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-3(S)-methyl-1-octenyl)cyclopen",035700-21-1,5283105,"methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoate",CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O,"InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1",QQCOAAFKJZXJFP-XAYIDPIISA-N,C22H38O5,382.5,382.2719243,3.2,87,487,0,3,5,13,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,1
PROSTAGLANDIN F2A,038562-01-5,5282415,"2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O,"InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1",IYGXEHDCSOYNKY-RZHHZEQLSA-N,C24H45NO8,475.6,475.3145174,,185,486,0,8,9,15,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S",000551-11-1,5280363,"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",PXGPLTODNUVGFL-YNNPMVKQSA-N,C20H34O5,354.5,354.2406242,2.7,98,432,0,4,5,12,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, stere",004510-16-1,5280506,"(Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1",PXGPLTODNUVGFL-JZFBHDEDSA-N,C20H34O5,354.5,354.2406242,2.7,98,432,0,4,5,12,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, methyl ester, (5Z,9-alpha,11",033854-16-9,5283102,"methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O,"InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1",PJDMFGSFLLCCAO-NVRZHKMMSA-N,C21H36O5,368.5,368.2562742,3,87,446,0,3,5,13,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
D-CAMPHORIC ACID,000124-83-4,101807,"trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid",C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O,"InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m1/s1",LSPHULWDVZXLIL-LDWIPMOCSA-N,C10H16O4,200.23,200.104859,1.3,74.6,282,0,2,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERFLUORO(METHYLCYCLOPENTANE),001805-22-7,74546,"1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane",C1(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F,"InChI=1S/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11",BCNXQFASJTYKDJ-UHFFFAOYSA-N,C6F12,300.04,299.9808379,3.4,0,335,0,0,12,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PROPYLCYCLOPENTANOL,001604-02-0,98267,1-propylcyclopentan-1-ol,CCCC1(CCCC1)O,"InChI=1S/C8H16O/c1-2-5-8(9)6-3-4-7-8/h9H,2-7H2,1H3",GJEILRJIINEWJO-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,1.9,20.2,82,0,1,1,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTYLBORONIC ACID,063076-51-7,2734327,cyclopentylboronic acid,B(C1CCCC1)(O)O,"InChI=1S/C5H11BO2/c7-6(8)5-3-1-2-4-5/h5,7-8H,1-4H2",VTTDFSNKIMAQTB-UHFFFAOYSA-N,C5H11BO2,113.95,114.0852098,,40.5,68,0,2,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITROCYCLOPENTANE,002562-38-1,75714,nitrocyclopentane,C1CCC(C1)[N+](=O)[O-],"InChI=1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2",CJSZWOGCKKDSJG-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,1.3,45.8,91,0,0,2,0,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOPENTANEDICARBOXYLIC ACID, TRANS-",001461-97-8,727375,"trans-(1R,2R)-cyclopentane-1,2-dicarboxylic acid",C1C[C@H]([C@@H](C1)C(=O)O)C(=O)O,"InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1",ASJCSAKCMTWGAH-RFZPGFLSSA-N,C7H10O4,158.15,158.0579088,0.3,74.6,167,0,2,4,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANEMETHANAMINE, 2-AMINO-",021544-02-5,89512,2-(aminomethyl)cyclopentan-1-amine,C1CC(C(C1)N)CN,"InChI=1S/C6H14N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-4,7-8H2",SRGQQZYVZFJYHJ-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0.1,52,72,0,2,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOPENTANESULFONYL CHLORIDE,026394-17-2,3717197,cyclopentanesulfonyl chloride,C1CCC(C1)S(=O)(=O)Cl,"InChI=1S/C5H9ClO2S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2",HZVKYZHPDGEECE-UHFFFAOYSA-N,C5H9ClO2S,168.64,168.0011784,1.7,42.5,174,0,0,2,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLOROCYCLOPENTYL-",014579-03-4,84533,trichloro(cyclopentyl)silane,C1CCC(C1)[Si](Cl)(Cl)Cl,"InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2",FCMZRNUHEXJWGB-UHFFFAOYSA-N,C5H9Cl3Si,203.56,201.95391,,0,92,0,0,0,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOPENTANECARBOXYLIC ACID,003400-45-1,18840,cyclopentanecarboxylic acid,C1CCC(C1)C(=O)O,"InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)",JBDSSBMEKXHSJF-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.3,37.3,92,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3-TETRAMETHYLENEGLUTARIC ACID",016713-66-9,85558,2-[1-(carboxymethyl)cyclopentyl]acetic acid,C1CCC(C1)(CC(=O)O)CC(=O)O,"InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)",FWPVKDFOUXHOKQ-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,1.3,74.6,198,0,2,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPENTANOL, 1,2-DIMETHYL-3-(1-METHYLETHENYL)-",072402-00-7,20046,"1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol",CC1C(CCC1(C)O)C(=C)C,"InChI=1S/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3",ZRVPDCMGGOSDKG-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.6,20.2,174,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPENTANOL, 1,2-DIMETHYL-3-(1-METHYLETHENYL)-, ACETATE",094346-09-5,3086398,"[(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate",C[C@@H]1[C@@H](CC[C@]1(C)OC(=O)C)C(=C)C,"InChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3/t9-,11+,12+/m1/s1",NKWCOKZUKIEZAR-USWWRNFRSA-N,C12H20O2,196.29,196.1463299,3.2,26.3,257,0,0,2,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9-alpha,11-alp",058551-69-2,5281074,"2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid",CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O,"InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1",UMMADZJLZAPZAW-XOWPVRJPSA-N,C25H47NO8,489.6,489.3301675,,185,527,0,8,9,15,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,1,2,2,3,3,4-HEPTAFLUOROCYCLOPENTANE",015290-77-4,3853245,"1,1,2,2,3,3,4-heptafluorocyclopentane",C1C(C(C(C1(F)F)(F)F)(F)F)F,"InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2",IDBYQQQHBYGLEQ-UHFFFAOYSA-N,C5H3F7,196.07,196.0122972,2.8,0,196,0,0,7,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 2-cyclopentyl-N,1-dimethyl-",102-45-4,7608,1-cyclopentyl-N-methylpropan-2-amine,CC(CC1CCCC1)NC,"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3",HFXKQSZZZPGLKQ-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.9,12,84,0,1,1,3,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-Cyclopentanetetracarboxylic acid",3724-52-5,19622,"cyclopentane-1,2,3,4-tetracarboxylic acid",C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",WOSVXXBNNCUXMT-UHFFFAOYSA-N,C9H10O8,246.17,246.0375673,-1.5,149,350,0,4,8,4,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopentanol, carbamate",4144-77-8,199405,cyclopentyl carbamate,C1CCC(C1)OC(=O)N,"InChI=1S/C6H11NO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)",JMFVWNKPLURQMI-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,0.8,52.3,108,0,1,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Cyclopentanemethanol, 1-amino-",10316-79-7,66307,(1-aminocyclopentyl)methanol,C1CCC(C1)(CO)N,"InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2",PDNZJLMPXLQDPL-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,-0.3,46.3,76,0,2,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cyclopentaneethanesulfonamide,17854-73-8,205368,2-cyclopentylethanesulfonamide,C1CCC(C1)CCS(=O)(=O)N,"InChI=1S/C7H15NO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H2,8,9,10)",LLOOVUNPORBZON-UHFFFAOYSA-N,C7H15NO2S,177.27,177.0823499,1.5,68.5,199,0,1,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, cyclopentyl-, hydrochloride",24214-72-0,212349,cyclopentylhydrazine;hydrochloride,C1CCC(C1)NN.Cl,"InChI=1S/C5H12N2.ClH/c6-7-5-3-1-2-4-5;/h5,7H,1-4,6H2;1H",GONHTJWVIZVBOU-UHFFFAOYSA-N,C5H13ClN2,136.62,136.0767261,,38.1,48,0,3,2,1,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, (9-alpha,11-alpha,13E,15S)-",58962-34-8,5280888,"7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O,"InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1",KFGOFTHODYBSGM-ZUNNJUQCSA-N,C20H34O6,370.5,370.2355388,1.4,115,461,0,4,6,13,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentane-1-carboxamide, 1-methyl-",69352-91-6,853392,1-methylcyclopentane-1-carboxamide,CC1(CCCC1)C(=O)N,"InChI=1S/C7H13NO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H2,8,9)",IGQVSVIYRURIET-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1,43.1,125,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1S-cis)-",111900-32-4,104766,"trans-(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid",C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1",YFYNOWXBIBKGHB-FBCQKBJTSA-N,C7H11NO4,173.17,173.0688078,-3.2,101,227,0,3,5,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxamide, 2-((2-formyl-1-pyrrolidinyl)carbonyl)-N-(phenylmethyl)-,(1R-(1-alpha,2-beta(S*)))-",117426-92-3,226274,cyclopentanecarboxamide,C1CCC(C1)C(=O)N,"InChI=1S/C6H11NO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)",XRLDSWLMHUQECH-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.7,43.1,94,0,1,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-, (5Z)-",120373-36-6,5311236,"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid",CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O,"InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1",TVHAZVBUYQMHBC-SNHXEXRGSA-N,C22H38O5,382.5,382.2719243,3.7,94.8,460,0,3,5,15,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclopentanecarboxamide, 1-amino-",,11116086,1-aminocyclopentane-1-carboxamide,C1CCC(C1)(C(=O)N)N,"InChI=1S/C6H12N2O/c7-5(9)6(8)3-1-2-4-6/h1-4,8H2,(H2,7,9)",YGVGITVCEHRBDK-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-1,69.1,127,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"Cyclopentanecarboxylic acid, 1-acetamido-",,229296,1-acetamidocyclopentane-1-carboxylic acid,CC(=O)NC1(CCCC1)C(=O)O,"InChI=1S/C8H13NO3/c1-6(10)9-8(7(11)12)4-2-3-5-8/h2-5H2,1H3,(H,9,10)(H,11,12)",WMLJYVSRHSZWQY-UHFFFAOYSA-N,C8H13NO3,171.19,171.0895433,0.2,66.4,206,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxylic acid, 1-amino-, ethyl ester, hydrochloride",,3028134,ethyl 1-aminocyclopentane-1-carboxylate;hydrochloride,CCOC(=O)C1(CCCC1)N.Cl,"InChI=1S/C8H15NO2.ClH/c1-2-11-7(10)8(9)5-3-4-6-8;/h2-6,9H2,1H3;1H",ADFASIQRQWKXSJ-UHFFFAOYSA-N,C8H16ClNO2,193.67,193.0869564,,52.3,150,0,2,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxylic acid, 1-hydroxy-",,117177,1-hydroxycyclopentane-1-carboxylic acid,C1CCC(C1)(C(=O)O)O,"InChI=1S/C6H10O3/c7-5(8)6(9)3-1-2-4-6/h9H,1-4H2,(H,7,8)",JJABOWZNFOCHMN-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.2,57.5,124,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxylic acid, 1-(methylamino)-",,3028136,1-(methylamino)cyclopentane-1-carboxylic acid,CNC1(CCCC1)C(=O)O,"InChI=1S/C7H13NO2/c1-8-7(6(9)10)4-2-3-5-7/h8H,2-5H2,1H3,(H,9,10)",HENGJKIYGDMCLP-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,-1.8,49.3,139,0,2,3,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclopentanedicarboxylic acid, 1-amino-",,244040,"1-aminocyclopentane-1,2-dicarboxylic acid",C1CC(C(C1)(C(=O)O)N)C(=O)O,"InChI=1S/C7H11NO4/c8-7(6(11)12)3-1-2-4(7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)",ICCJHMNYUMDWSP-UHFFFAOYSA-N,C7H11NO4,173.17,173.0688078,-2.6,101,227,0,3,5,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Cyclopentylacetic acid, 2-(4-quinoline-2-yl-methoxyphenyl)-, menthyl ester,(R)-(1S,2R,5S)-(+)-",,71606,2-cyclopentylacetic acid,C1CCC(C1)CC(=O)O,"InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)",YVHAIVPPUIZFBA-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.9,37.3,103,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLMORPHOLINE,000109-02-4,7972,4-methylmorpholine,CN1CCOCC1,"InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3",SJRJJKPEHAURKC-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.3,12.5,50,0,0,2,0,7,"75 °F (NFPA, 2010)",,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
MORPHOLINE,000110-91-8,8083,morpholine,C1COCCN1,"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",YNAVUWVOSKDBBP-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.9,21.3,34,0,1,2,0,6,"100 °F (NTP, 1992)","264 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-ETHYLMORPHOLINE,000100-74-3,7525,4-ethylmorpholine,CCN1CCOCC1,"InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3",HVCNXQOWACZAFN-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0,12.5,59,0,0,2,1,8,"82 °F (NTP, 1992)","280 to 282 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 2,6-DIMETHYL-",000141-91-3,110862,"2,6-dimethylmorpholine",CC1CNCC(O1)C,"InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3",HNVIQLPOGUDBSU-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.3,21.3,66,0,1,2,0,8,"112 °F (NTP, 1992)","297 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 4-BUTYL-",001005-67-0,70499,4-butylmorpholine,CCCCN1CCOCC1,"InChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3",LMRKVKPRHROQRR-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,1.1,12.5,79,0,0,2,3,10,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
MORPHOLINE BORANE,004856-95-5,517361,borane;morpholine,B.C1COCCN1,"InChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3",IFVAHVOGOBRFSP-UHFFFAOYSA-N,C4H12BNO,100.96,101.1011942,,21.3,34,0,1,2,0,7,,,0,1,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"4-MORPHOLINEETHANOL, .ALPHA.-METHYL-",002109-66-2,97957,1-morpholin-4-ylpropan-2-ol,CC(CN1CCOCC1)O,"InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3",YAXQOLYGKLGQKA-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,-0.4,32.7,91,0,1,3,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(2-CHLOROETHYL)MORPHOLINE HYDROCHLORIDE,003647-69-6,77210,4-(2-chloroethyl)morpholine;hydrochloride,C1COCCN1CCCl.Cl,InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H,NBJHDLKSWUDGJG-UHFFFAOYSA-N,C6H13Cl2NO,186.08,185.0374194,,12.5,73,0,1,2,2,10,,,0,1,0,1,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0
"MORPHOLINE, 4-(2-CHLOROETHYL)-",003240-94-6,76727,4-(2-chloroethyl)morpholine,C1COCCN1CCCl,InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2,ZAPMTSHEXFEPSD-UHFFFAOYSA-N,C6H12ClNO,149.62,149.0607417,0.5,12.5,73,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
4-(2-AMINOETHYL)MORPHOLINE,002038-03-1,408285,2-morpholin-4-ylethanamine,C1COCCN1CCN,InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2,RWIVICVCHVMHMU-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,-1.1,38.5,71,0,1,3,2,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
N-(3-AMINOPROPYL)MORPHOLINE,000123-00-2,61055,3-morpholin-4-ylpropan-1-amine,C1COCCN1CCCN,InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2,UIKUBYKUYUSRSM-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,-0.7,38.5,81,0,1,3,3,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIBROMOETHYL MORPHOLINOCHLOROPHOSPHONATE",057575-15-2,3034447,"4-[chloro(2,2,2-tribromoethoxy)phosphoryl]morpholine",C1COCCN1P(=O)(OCC(Br)(Br)Br)Cl,"InChI=1S/C6H10Br3ClNO3P/c7-6(8,9)5-14-15(10,12)11-1-3-13-4-2-11/h1-5H2",LROSUTJPBMEPEY-UHFFFAOYSA-N,C6H10Br3ClNO3P,450.29,448.76165,2.4,38.8,256,0,0,4,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-ACRYLOYLMORPHOLINE,005117-12-4,98723,1-morpholin-4-ylprop-2-en-1-one,C=CC(=O)N1CCOCC1,"InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2",XLPJNCYCZORXHG-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,-0.1,29.5,139,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
"4-MORPHOLINEETHANAMINE, .ALPHA.-METHYL-",050998-05-5,170951,1-morpholin-4-ylpropan-2-amine,CC(CN1CCOCC1)N,"InChI=1S/C7H16N2O/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6,8H2,1H3",SWZKXIPDGAAYKE-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,-0.6,38.5,91,0,1,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIOPAN P1487 (4-(2-NITROBUTYL)MORPHOLINE,002224-44-4,62440,4-(2-nitrobutyl)morpholine,CCC(CN1CCOCC1)[N+](=O)[O-],"InChI=1S/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3",GQHVWDKJTDUZRP-UHFFFAOYSA-N,C8H16N2O3,188.22,188.1160924,0.6,58.3,163,0,0,4,3,13,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
4-(3-HYDROXYPROPYL) MORPHOLINE,004441-30-9,199576,3-morpholin-4-ylpropan-1-ol,C1COCCN1CCCO,"InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2",VZKSLWJLGAGPIU-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,-0.4,32.7,81,0,1,3,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(2-BROMOETHYL)MORPHOLINE HYDROBROMIDE,042802-94-8,21509544,4-(2-bromoethyl)morpholine;hydrobromide,C1COCCN1CCBr.Br,InChI=1S/C6H12BrNO.BrH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H,UGHOJWLZPSTTKB-UHFFFAOYSA-N,C6H13Br2NO,274.98,274.93434,,12.5,73,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MORPHOLINEETHANETHIOL,004542-46-5,20666,2-morpholin-4-ylethanethiol,C1COCCN1CCS,"InChI=1S/C6H13NOS/c9-6-3-7-1-4-8-5-2-7/h9H,1-6H2",YZVWMFBVTTUSAW-UHFFFAOYSA-N,C6H13NOS,147.24,147.0717852,0.2,13.5,73,0,1,3,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MORPHOLINEPROPANENITRILE,004542-47-6,78298,3-morpholin-4-ylpropanenitrile,C1COCCN1CCC#N,"InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2",WXVKGHVDWWXBJX-UHFFFAOYSA-N,C7H12N2O,140.18,140.094963,-0.4,36.3,132,0,0,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 4-(CYANOACETYL)-",015029-32-0,229279,3-morpholin-4-yl-3-oxopropanenitrile,C1COCCN1C(=O)CC#N,"InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2",AUZPMUJGZZSMCP-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,-0.8,53.3,188,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Morpholinecarboxamide, N-((8-alpha)-6-methylergolin-8-yl)-, (Z)-2-butenedioa",,75088,morpholine-4-carboxamide,C1COCCN1C(=O)N,"InChI=1S/C5H10N2O2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,(H2,6,8)",ZKWFSTHEYLJLEL-UHFFFAOYSA-N,C5H10N2O2,130.15,130.0742276,-1.2,55.6,110,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 2,6-DIMETHYL-4-TRIDECYL-",024602-86-6,32518,"2,6-dimethyl-4-tridecylmorpholine",CCCCCCCCCCCCCN1CC(OC(C1)C)C,"InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3",YTOPFCCWCSOHFV-UHFFFAOYSA-N,C19H39NO,297.5,297.3031649,6.9,12.5,222,0,0,2,12,21,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
Aldimorph-,091315-15-0,3014032,"4-dodecyl-2,6-dimethylmorpholine",CCCCCCCCCCCCN1CC(OC(C1)C)C,"InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17(2)20-18(3)16-19/h17-18H,4-16H2,1-3H3",SBUKOHLFHYSZNG-UHFFFAOYSA-N,C18H37NO,283.5,283.2875148,6.3,12.5,209,0,0,2,11,20,,,1,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"4-MORPHOLINECARBODITHIOIC ACID, SODIUM SALT",000873-58-5,10932133,sodium morpholine-4-carbodithioate,C1COCCN1C(=S)[S-].[Na+],"InChI=1S/C5H9NOS2.Na/c8-5(9)6-1-3-7-4-2-6;/h1-4H2,(H,8,9);/q;+1/p-1",DVHOMPKWTYENNE-UHFFFAOYSA-M,C5H8NNaOS2,185.2,184.9945005,,45.6,116,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-MORPHOLINEETHANAMINE, N,N-DIMETHYL-",004385-05-1,78091,"N,N-dimethyl-2-morpholin-4-ylethanamine",CN(C)CCN1CCOCC1,"InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3",PMHXGHYANBXRSZ-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,-0.1,15.7,100,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 4-(2-METHOXYETHYL)-",010220-23-2,82460,4-(2-methoxyethyl)morpholine,COCCN1CCOCC1,"InChI=1S/C7H15NO2/c1-9-5-2-8-3-6-10-7-4-8/h2-7H2,1H3",JAEQOSKUYPMJAT-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,-0.3,21.7,81,0,0,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH N-[3-(4-MORPHOLINYL)PROPYL]OCTADECANAM",055852-14-7,108781,2-hydroxypropanoic acid;N-(3-morpholin-4-ylpropyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1.CC(C(=O)O)O,"InChI=1S/C25H50N2O2.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-2(4)3(5)6/h2-24H2,1H3,(H,26,28);2,4H,1H3,(H,5,6)",BFWRTWBSOCPDQX-UHFFFAOYSA-N,C28H56N2O5,500.8,500.4189229,,99.1,416,0,3,6,21,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-MORPHOLINEPROPANESULFONIC ACID,001132-61-2,70807,3-morpholin-4-ylpropane-1-sulfonic acid,C1COCCN1CCCS(=O)(=O)O,"InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)",DVLFYONBTKHTER-UHFFFAOYSA-N,C7H15NO4S,209.27,209.0721791,-3.1,75.2,227,0,1,5,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MES MONOHYDRATE,145224-94-8,16218417,2-morpholin-4-ylethanesulfonic acid;hydrate,C1COCCN1CCS(=O)(=O)O.O,"InChI=1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2",MIIIXQJBDGSIKL-UHFFFAOYSA-N,C6H15NO5S,213.25,213.0670938,,76.2,214,0,2,6,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOPS SODIUM,071119-22-7,3859613,sodium 3-morpholin-4-ylpropane-1-sulfonate,C1COCCN1CCCS(=O)(=O)[O-].[Na+],"InChI=1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1",MWEMXEWFLIDTSJ-UHFFFAOYSA-M,C7H14NNaO4S,231.25,231.0541234,,78.1,233,0,0,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MORPHOLINE OLEATE,001095-66-5,20838052,morpholine;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.C1COCCN1,"InChI=1S/C18H34O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,1-4H2/b10-9-;",OBMBYGXRLQQDHH-KVVVOXFISA-N,C22H43NO3,369.6,369.3242942,,58.6,268,0,2,4,15,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-(2-HYDROXYETHYL) MORPHOLINE,000622-40-2,61163,2-morpholin-4-ylethanol,C1COCCN1CCO,"InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2",KKFDCBRMNNSAAW-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,-0.8,32.7,71,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-MORPHOLINO-1,2-PROPANEDIOL",006425-32-7,110850,"3-morpholin-4-ylpropane-1,2-diol",C1COCCN1CC(CO)O,"InChI=1S/C7H15NO3/c9-6-7(10)5-8-1-3-11-4-2-8/h7,9-10H,1-6H2",VZBNUEHCOOXOHR-UHFFFAOYSA-N,C7H15NO3,161.2,161.1051933,-1.4,52.9,104,0,2,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXY-4-MORPHOLINEPROPANESULPHONIC ACID,068399-77-9,109333,2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid,C1COCCN1CC(CS(=O)(=O)O)O,"InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)",NUFBIAUZAMHTSP-UHFFFAOYSA-N,C7H15NO5S,225.27,225.0670938,-4.1,95.5,254,0,2,6,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLMORPHOLINE,001696-20-4,15543,1-morpholin-4-ylethanone,CC(=O)N1CCOCC1,"InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3",KYWXRBNOYGGPIZ-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-0.7,29.5,108,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0
(1-CYANO-2-ETHOXY-2-OXOETHYLIDENAMINOOXY)DIMETHYLAMINO-MORPHOLINO-CARBENIUM HEXAFLUOROPHOSPHATE,1075198-30-9,44471148,[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium hexafluorophosphate,CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N.F[P-](F)(F)(F)(F)F,"InChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;",GPDHNZNLPKYHCN-DZOOLQPHSA-N,C12H19F6N4O4P,428.27,428.1048111,,87.2,516,0,0,13,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(2-BROMOETHYL)MORPHOLINE,089583-07-3,1502101,4-(2-bromoethyl)morpholine,C1COCCN1CCBr,InChI=1S/C6H12BrNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2,CVMXEDZZSWLXPB-UHFFFAOYSA-N,C6H12BrNO,194.07,193.01023,0.7,12.5,73,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 2,2,3,3,5,5,6,6-OCTAFLUORO-4-(TRIFLUOROMETHYL)-",000382-28-5,67839,"2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine",C1(C(OC(C(N1C(F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16",PQMAKJUXOOVROI-UHFFFAOYSA-N,C5F11NO,299.04,298.9804234,4.2,12.5,320,0,0,13,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MORPHOLINECARBONYL CHLORIDE,015159-40-7,84810,morpholine-4-carbonyl chloride,C1COCCN1C(=O)Cl,InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,XMWFMEYDRNJSOO-UHFFFAOYSA-N,C5H8ClNO2,149.57,149.0243562,0.4,29.5,112,0,0,2,0,9,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MORPHOLINE, 4-[3-(TRIMETHOXYSILYL)PROPYL]-",031024-54-1,169238,trimethoxy(3-morpholin-4-ylpropyl)silane,CO[Si](CCCN1CCOCC1)(OC)OC,"InChI=1S/C10H23NO4Si/c1-12-16(13-2,14-3)10-4-5-11-6-8-15-9-7-11/h4-10H2,1-3H3",YJDOIAGBSYPPCK-UHFFFAOYSA-N,C10H23NO4Si,249.38,249.1396348,,40.2,175,0,0,5,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-MORPHOLINEPROPANOIC ACID, METHYL ESTER",033611-43-7,101373,methyl 3-morpholin-4-ylpropanoate,COC(=O)CCN1CCOCC1,"InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3",YMSLLIGKMYXCPK-UHFFFAOYSA-N,C8H15NO3,173.21,173.1051933,-0.3,38.8,143,0,0,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, COMPD. WITH MORPHOLINE (1:1)",038344-72-8,162299,morpholine;octanoic acid,CCCCCCCC(=O)O.C1COCCN1,"InChI=1S/C8H16O2.C4H9NO/c1-2-3-4-5-6-7-8(9)10;1-3-6-4-2-5-1/h2-7H2,1H3,(H,9,10);5H,1-4H2",LAQVFXAFEYMPTI-UHFFFAOYSA-N,C12H25NO3,231.33,231.1834437,,58.6,124,0,2,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, HYDRIODIDE",058464-45-2,12196071,morpholine;hydroiodide,C1COCCN1.I,"InChI=1S/C4H9NO.HI/c1-3-6-4-2-5-1;/h5H,1-4H2;1H",VAWHFUNJDMQUSB-UHFFFAOYSA-N,C4H10INO,215.03,214.98071,,21.3,34,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-MORPHOLINECARBOXALDEHYDE,004394-85-8,20417,morpholine-4-carbaldehyde,C1COCCN1C=O,"InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2",LCEDQNDDFOCWGG-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.6,29.5,78,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
"MORPHOLINE, 4-(2-METHYL-1-PROPENYL)-",002403-55-6,102255,4-(2-methylprop-1-enyl)morpholine,CC(=CN1CCOCC1)C,"InChI=1S/C8H15NO/c1-8(2)7-9-3-5-10-6-4-9/h7H,3-6H2,1-2H3",RSEUOMWVYSLIKM-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1.5,12.5,121,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-NITROSOMORPHOLINE,000059-89-2,6046,4-nitrosomorpholine,C1COCCN1N=O,InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2,ZKXDGKXYMTYWTB-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-0.4,41.9,80,0,0,4,0,8,,"435 to 436 °F at 747 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0
"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 4-(mercaptoacetyl)morpholine",144-41-2,8952,2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone,COP(=S)(OC)SCC(=O)N1CCOCC1,"InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3",NTHGWXIWFHGPLK-UHFFFAOYSA-N,C8H16NO4PS2,285.3,285.0258373,0.8,105,275,0,0,6,5,16,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, morpholino-, dimethyl ester",597-25-1,11698,4-dimethoxyphosphorylmorpholine,COP(=O)(N1CCOCC1)OC,"InChI=1S/C6H14NO4P/c1-9-12(8,10-2)7-3-5-11-6-4-7/h3-6H2,1-2H3",BZXUQIDKDGGYPB-UHFFFAOYSA-N,C6H14NO4P,195.15,195.0660449,-0.7,48,172,0,0,5,3,12,"greater than 200 °F (NTP, 1992)","401 °F at 768 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, isopropyl-",1331-24-4,73998,4-propan-2-ylmorpholine,CC(C)N1CCOCC1,"InChI=1S/C7H15NO/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3",XLZMWNWNBXSZKF-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.5,12.5,77,0,0,2,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Morpholine, 4-(chloroacetyl)-",1440-61-5,74040,2-chloro-1-morpholin-4-ylethanone,C1COCCN1C(=O)CCl,InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2,YMQRPXBBBOXHNZ-UHFFFAOYSA-N,C6H10ClNO2,163.6,163.0400063,0,29.5,123,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Morpholinecarboxamidine, N-amidino-, monohydrochloride",3160-91-6,76621,N-(diaminomethylidene)morpholine-4-carboximidamide;hydrochloride,C1COCCN1C(=N)N=C(N)N.Cl,"InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H",FXYZDFSNBBOHTA-UHFFFAOYSA-N,C6H14ClN5O,207.66,207.0886878,,101,192,0,4,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-amino-",4319-49-7,20315,morpholin-4-amine,C1COCCN1N,InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2,MKQLBNJQQZRQJU-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,-1.1,38.5,51,0,1,3,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-decanoyl-",5299-65-0,94801,1-morpholin-4-yldecan-1-one,CCCCCCCCCC(=O)N1CCOCC1,"InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-14(16)15-10-12-17-13-11-15/h2-13H2,1H3",DAOANAATJZWTSJ-UHFFFAOYSA-N,C14H27NO2,241.37,241.2041791,3.4,29.5,200,0,0,2,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-Morpholineacetonitrile,2/3/07,22055,2-morpholin-4-ylacetonitrile,C1COCCN1CC#N,InChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2,OOSOCAXREAGIGA-UHFFFAOYSA-N,C6H10N2O,126.16,126.0793129,-0.3,36.3,120,0,0,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(2-amino-2-methylpropyl)-",6105-75-5,201497,2-methyl-1-morpholin-4-ylpropan-2-amine,CC(C)(CN1CCOCC1)N,"InChI=1S/C8H18N2O/c1-8(2,9)7-10-3-5-11-6-4-10/h3-7,9H2,1-2H3",JCXYZQUYVNLCTG-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,-0.4,38.5,119,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Morpholine, 4-(3-chloropropyl)-",7357-67-7,95834,4-(3-chloropropyl)morpholine,C1COCCN1CCCCl,InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2,PIAZYBLGBSMNLX-UHFFFAOYSA-N,C7H14ClNO,163.64,163.0763918,0.8,12.5,83,0,0,2,3,10,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,1,1,1
"Morpholine, hydrochloride",10024-89-2,197884,morpholine;hydrochloride,C1COCCN1.Cl,"InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H",JXYZHMPRERWTPM-UHFFFAOYSA-N,C4H10ClNO,123.58,123.0450916,,21.3,34,0,2,2,0,7,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-(3-isothiocyanatopropyl)-",32813-50-6,141745,4-(3-isothiocyanatopropyl)morpholine,C1COCCN1CCCN=C=S,InChI=1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2,BCEFDMYFAAAFPE-UHFFFAOYSA-N,C8H14N2OS,186.28,186.0826843,1.6,56.9,162,0,0,4,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Morpholine, 2-methyl-4-nitroso-",75881-16-2,21116826,2-methyl-4-nitrosomorpholine,CC1CN(CCO1)N=O,"InChI=1S/C5H10N2O2/c1-5-4-7(6-8)2-3-9-5/h5H,2-4H2,1H3",UIBWFARCELCCAF-UHFFFAOYSA-N,C5H10N2O2,130.15,130.0742276,0,41.9,107,0,0,4,0,9,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,1,0,0,1,0,0
"4-Morpholineacetic acid, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-",156758-91-7,438968,2-morpholin-4-ylacetic acid,C1COCCN1CC(=O)O,"InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)",VIWZVFVJPXTXPA-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-2.8,49.8,120,0,1,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2S)-",160415-07-6,10130513,"2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride",CC1(CO[C@H](CN1)CC(=O)O)C.Cl,"InChI=1S/C8H15NO3.ClH/c1-8(2)5-12-6(4-9-8)3-7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t6-;/m0./s1",QYYBBASPKHNBKA-RGMNGODLSA-N,C8H16ClNO3,209.67,209.0818711,,58.6,179,0,3,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-Morpholineacetamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-,hydrochloride",,667910,2-morpholin-4-ylacetamide,C1COCCN1CC(=O)N,"InChI=1S/C6H12N2O2/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9)",BWRNWWSQZROEOA-UHFFFAOYSA-N,C6H12N2O2,144.17,144.0898776,-1.2,55.6,121,0,1,3,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-Morpholinecarbothioamide, N-(2-butyl-4-oxo-3(4H)-quinazolinyl)-",,2393544,morpholine-4-carbothioamide,C1COCCN1C(=S)N,"InChI=1S/C5H10N2OS/c6-5(9)7-1-3-8-4-2-7/h1-4H2,(H2,6,9)",GSLBUBZXFUYMSW-UHFFFAOYSA-N,C5H10N2OS,146.21,146.0513841,-0.6,70.6,112,0,1,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(2-hydrazinoethyl)-, dihydrochloride",,3029393,2-morpholin-4-ylethylhydrazine;dihydrochloride,C1COCCN1CCNN.Cl.Cl,"InChI=1S/C6H15N3O.2ClH/c7-8-1-2-9-3-5-10-6-4-9;;/h8H,1-7H2;2*1H",KZPPVCYJPXQMGT-UHFFFAOYSA-N,C6H17Cl2N3O,218.12,217.0748676,,50.5,83,0,4,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM NITRATE,143314-14-1,16211072,1-ethyl-3-methylimidazol-3-ium nitrate,CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-],"InChI=1S/C6H11N2.NO3/c1-3-8-5-4-7(2)6-8;2-1(3)4/h4-6H,3H2,1-2H3;/q+1;-1",JDOJFSVGXRJFLL-UHFFFAOYSA-N,C6H11N3O3,173.17,173.0800412,,71.7,91,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM NITRATE,179075-88-8,16211113,1-butyl-3-methylimidazol-3-ium nitrate,CCCCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-],"InChI=1S/C8H15N2.NO3/c1-3-4-5-10-7-6-9(2)8-10;2-1(3)4/h6-8H,3-5H2,1-2H3;/q+1;-1",WPHIMOZSRUCGGU-UHFFFAOYSA-N,C8H15N3O3,201.22,201.1113414,,71.7,112,0,0,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM TETRACYANOBORATE,742099-80-5,87075443,1-ethyl-3-methylimidazol-3-ium;tetracyanoboranuide,[B-](C#N)(C#N)(C#N)C#N.CCN1C=C[N+](=C1)C,"InChI=1S/C6H11N2.C4BN4/c1-3-8-5-4-7(2)6-8;6-1-5(2-7,3-8)4-9/h4-6H,3H2,1-2H3;/q+1;-1",CPZCMVDICTVHIP-UHFFFAOYSA-N,C10H11BN6,226.05,226.1138245,,104,309,0,0,5,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE,174501-65-6,2734178,1-butyl-3-methylimidazol-3-ium tetrafluoroborate,[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C,"InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1",LSBXQLQATZTAPE-UHFFFAOYSA-N,C8H15BF4N2,226.03,226.1264413,,8.8,112,0,0,5,3,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE,079917-90-1,2734161,1-butyl-3-methylimidazol-3-ium chloride,CCCCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C8H15N2.ClH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1",FHDQNOXQSTVAIC-UHFFFAOYSA-M,C8H15ClN2,174.67,174.0923762,,8.8,93,0,0,1,3,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE,174899-66-2,2734246,1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate,CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1",FRZPYEHDSAQGAS-UHFFFAOYSA-M,C9H15F3N2O3S,288.29,288.075548,,74.4,238,0,0,6,3,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-DECYL-3-METHYL-1H-IMIDAZOL-3-IUM BIS((TRIFLUOROMETHYL)SULFONYL)AMIDE,433337-23-6,12040509,bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium,CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1",ZYVGZWFCGPUVSH-UHFFFAOYSA-N,C16H27F6N3O4S2,503.5,503.1347177,,94.9,533,0,0,11,11,31,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM METHANESULFONATE,342789-81-5,11492381,1-butyl-3-methylimidazol-3-ium;methanesulfonate,CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-],"InChI=1S/C8H15N2.CH4O3S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",PUHVBRXUKOGSBC-UHFFFAOYSA-M,C9H18N2O3S,234.32,234.1038136,,74.4,172,0,0,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-METHYL-3-OCTYL-1H-IMIDAZOLIUM
N,N-BIS[(TRIFLUOROMETHYL)SULFONYL]AMIDE",178631-04-4,12184591,bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium,CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C12H23N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-12H,3-9H2,1-2H3;/q+1;-1",LECQXINNQGHJBM-UHFFFAOYSA-N,C14H23F6N3O4S2,475.5,475.1034175,,94.9,510,0,0,11,9,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-METHYL-3-PROPYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,216299-72-8,12040508,bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium,CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C7H13N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1",CDWUIWLQQDTHRA-UHFFFAOYSA-N,C9H13F6N3O4S2,405.3,405.0251672,,94.9,457,0,0,11,4,24,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-ETHYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,174899-82-2,11731903,bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium,CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1",LRESCJAINPKJTO-UHFFFAOYSA-N,C8H11F6N3O4S2,391.3,391.0095172,,94.9,447,0,0,11,3,23,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM BIS (TRIFLUOROMETHYLSULFONYL)IMIDE,174899-83-3,11258643,bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium,CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1",INDFXCHYORWHLQ-UHFFFAOYSA-N,C10H15F6N3O4S2,419.4,419.0408173,,94.9,467,0,0,11,5,25,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"1,3-DIMETHYLIMIDAZOLIUM DIMETHYL PHOSPHATE",654058-04-5,16069365,"1,3-dimethylimidazol-1-ium;dimethyl phosphate",CN1C=C[N+](=C1)C.COP(=O)([O-])OC,"InChI=1S/C5H9N2.C2H7O4P/c1-6-3-4-7(2)5-6;1-5-7(3,4)6-2/h3-5H,1-2H3;1-2H3,(H,3,4)/q+1;/p-1",GSGLHYXFTXGIAQ-UHFFFAOYSA-M,C7H15N2O4P,222.18,222.076944,,67.4,129,0,0,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BIS(CYANOMETHYL)IMIDAZOLIUM CHLORIDE",,16212485,2-[3-(cyanomethyl)imidazol-3-ium-1-yl]acetonitrile chloride,C1=C[N+](=CN1CC#N)CC#N.[Cl-],"InChI=1S/C7H7N4.ClH/c8-1-3-10-5-6-11(7-10)4-2-9;/h5-7H,3-4H2;1H/q+1;/p-1",PZSHHOPVYJHGQL-UHFFFAOYSA-M,C7H7ClN4,182.61,182.0359239,,56.4,193,0,0,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTYL-2,3-DIMETHYLIMIDAZOLIUM TETRAFLUOROBORATE",,2734244,"1-butyl-2,3-dimethylimidazol-3-ium tetrafluoroborate",[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1C)C,"InChI=1S/C9H17N2.BF4/c1-4-5-6-11-8-7-10(3)9(11)2;2-1(3,4)5/h7-8H,4-6H2,1-3H3;/q+1;-1",VCAIYEJBOWHUGP-UHFFFAOYSA-N,C9H17BF4N2,240.05,240.1420914,,8.8,133,0,0,5,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-ETHYL-3-METHYL-IH-IMIDAZOLIUM TETRAFLUOROBORATE,143314-16-3,2769348,1-ethyl-3-methylimidazol-3-ium tetrafluoroborate,[B-](F)(F)(F)F.CCN1C=C[N+](=C1)C,"InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1",CUNYTRQQXKCRTJ-UHFFFAOYSA-N,C6H11BF4N2,197.97,198.0951412,,8.8,92,0,0,5,1,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ETHYL-3-METHYL-1H-IMIDAZOLIUM CHLORIDE,065039-09-0,2734160,1-ethyl-3-methylimidazol-3-ium chloride,CCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1",BMQZYMYBQZGEEY-UHFFFAOYSA-M,C6H11ClN2,146.62,146.0610761,,8.8,72,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM DICYANAMIDE,448245-52-1,11171745,1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide,CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N,"InChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1",ICIVTHOGIQHZRY-UHFFFAOYSA-N,C10H15N5,205.26,205.1327455,,46,179,0,0,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BUTYL-1-METHYL-1H-IMIDAZOLIUM THIOCYANATE,344790-87-0,11424151,1-butyl-3-methylimidazol-3-ium thiocyanate,CCCCN1C=C[N+](=C1)C.C(#N)[S-],"InChI=1S/C8H15N2.CHNS/c1-3-4-5-10-7-6-9(2)8-10;2-1-3/h6-8H,3-5H2,1-2H3;3H/q+1;/p-1",SIXHYMZEOJSYQH-UHFFFAOYSA-M,C9H15N3S,197.3,197.0986687,,33.6,125,0,0,2,3,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM ACETATE,284049-75-8,15953398,1-butyl-3-methylimidazol-3-ium acetate,CCCCN1C=C[N+](=C1)C.CC(=O)[O-],"InChI=1S/C8H15N2.C2H4O2/c1-3-4-5-10-7-6-9(2)8-10;1-2(3)4/h6-8H,3-5H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",BSKSXTBYXTZWFI-UHFFFAOYSA-M,C10H18N2O2,198.26,198.1368278,,48.9,119,0,0,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-DIMETHYL-3-PROPYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE",169051-76-7,11750474,"bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium",CCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1",XOZHIVUWCICHSQ-UHFFFAOYSA-N,C10H15F6N3O4S2,419.4,419.0408173,,94.9,477,0,0,11,4,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
3-ETHYL-1-METHYL-1H-IMIDAZOLIUM SALT WITH N-CYANOCYANAMIDE (1:1),370865-89-7,11159638,cyanoiminomethylideneazanide;1-ethyl-3-methylimidazol-3-ium,CCN1C=C[N+](=C1)C.C(=[N-])=NC#N,"InChI=1S/C6H11N2.C2N3/c1-3-8-5-4-7(2)6-8;3-1-5-2-4/h4-6H,3H2,1-2H3;/q+1;-1",MKHFCTXNDRMIDR-UHFFFAOYSA-N,C8H11N5,177.21,177.1014454,,46,159,0,0,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM THIOCYANATE,331717-63-6,16211115,1-ethyl-3-methylimidazol-3-ium thiocyanate,CCN1C=C[N+](=C1)C.C(#N)[S-],"InChI=1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1",VASPYXGQVWPGAB-UHFFFAOYSA-M,C7H11N3S,169.25,169.0673685,,33.6,104,0,0,2,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIMETHYLIMIDAZOLIUM BIS(TRIFLOROMETHANESULFONYL)IMIDE",174899-81-1,11349411,"bis(trifluoromethylsulfonyl)azanide;1,3-dimethylimidazol-1-ium",CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C5H9N2.C2F6NO4S2/c1-6-3-4-7(2)5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-5H,1-2H3;/q+1;-1",SAYMDKMGIAANGQ-UHFFFAOYSA-N,C7H9F6N3O4S2,377.3,376.9938671,,94.9,429,0,0,11,2,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 3-(2-HYDROXYETHYL)-1-METHYL-, CHLORIDE (1:1)",061755-34-8,11499271,2-(3-methylimidazol-3-ium-1-yl)ethanol chloride,C[N+]1=CN(C=C1)CCO.[Cl-],"InChI=1S/C6H11N2O.ClH/c1-7-2-3-8(6-7)4-5-9;/h2-3,6,9H,4-5H2,1H3;1H/q+1;/p-1",QVRFXIWAQRNWEX-UHFFFAOYSA-M,C6H11ClN2O,162.62,162.0559907,,29,87,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-(2-HYDROXYETHYL)-3-METHYLIMIDAZOLIUM
DICYANAMIDE",1186103-47-8,71310541,cyanoiminomethylideneazanide;2-(3-methylimidazol-3-ium-1-yl)ethanol,C[N+]1=CN(C=C1)CCO.C(=[N-])=NC#N,"InChI=1S/C6H11N2O.C2N3/c1-7-2-3-8(6-7)4-5-9;3-1-5-2-4/h2-3,6,9H,4-5H2,1H3;/q+1;-1",UBQLCZUQCFNAGM-UHFFFAOYSA-N,C8H11N5O,193.21,193.09636,,66.2,173,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM BIS(FLUOROSULFONYL)IMIDE,235789-75-0,87098478,bis(fluorosulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium,CCN1C=C[N+](=C1)C.[N-](S(=O)(=O)F)S(=O)(=O)F,"InChI=1S/C6H11N2.F2NO4S2/c1-3-8-5-4-7(2)6-8;1-8(4,5)3-9(2,6)7/h4-6H,3H2,1-2H3;/q+1;-1",ANFWGAAJBJPAHX-UHFFFAOYSA-N,C6H11F2N3O4S2,291.3,291.0159045,,94.9,304,0,0,7,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYL-1H-IMIDAZOLIUM SALT WITH METHANETRICARBONITRILE (1:1),878027-73-7,129821492,"1-butyl-3-methylimidazol-3-ium;2,2-dicyanoethenylideneazanide",CCCCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-],"InChI=1S/C8H15N2.C4N3/c1-3-4-5-10-7-6-9(2)8-10;5-1-4(2-6)3-7/h6-8H,3-5H2,1-2H3;/q+1;-1",YUDSETQBLNHGHF-UHFFFAOYSA-N,C12H15N5,229.28,229.1327455,,57.4,255,0,0,3,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-ETHYL-3-METHYLIMIDAZOLIUM TRICYANOMETHANIDE,666823-18-3,87103581,"2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium",CCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-],"InChI=1S/C6H11N2.C4N3/c1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7/h4-6H,3H2,1-2H3;/q+1;-1",SCAQVLGGENTPGK-UHFFFAOYSA-N,C10H11N5,201.23,201.1014454,,57.4,235,0,0,3,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROANTIMONATE,174645-81-9,16688641,1-butyl-3-methylimidazol-3-ium;hexafluoroantimony(1-),CCCCN1C=C[N+](=C1)C.F[Sb-](F)(F)(F)(F)F,"InChI=1S/C8H15N2.6FH.Sb/c1-3-4-5-10-7-6-9(2)8-10;;;;;;;/h6-8H,3-5H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6",CSHAOLBENQQIBR-UHFFFAOYSA-H,C8H15F6N2Sb,374.97,374.01775,,8.8,156,0,0,7,3,17,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ETHYL-3-METHYL-1H-IMIDAZOLIUM HEXAFLUOROPHOSPHATE,155371-19-0,2758873,1-ethyl-3-methylimidazol-3-ium hexafluorophosphate,CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F,"InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1",DPDAKOVGQUGTHH-UHFFFAOYSA-N,C6H11F6N2P,256.13,256.0564043,,8.8,136,0,0,7,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM HYDROGEN SULFATE,262297-13-2,11424880,1-butyl-3-methylimidazol-3-ium;hydrogen sulfate,CCCCN1C=C[N+](=C1)C.OS(=O)(=O)[O-],"InChI=1S/C8H15N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1",KXCVJPJCRAEILX-UHFFFAOYSA-M,C8H16N2O4S,236.29,236.0830782,,94.6,169,0,1,4,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTYL-3-METHYLIMIDAZOLIUM
TETRACHLOROALUMINATE",080432-09-3,16688491,1-butyl-3-methylimidazol-3-ium;tetrachloroalumanuide,CCCCN1C=C[N+](=C1)C.[Al-](Cl)(Cl)(Cl)Cl,"InChI=1S/C8H15N2.Al.4ClH/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h6-8H,3-5H2,1-2H3;;4*1H/q+1;+3;;;;/p-4",PNOZWIUFLYBVHH-UHFFFAOYSA-J,C8H15AlCl4N2,308,307.977523,,8.8,112,0,0,1,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYL-3-METHYLIMIDAZOLIUM METHYL SULFATE,401788-98-5,12095228,1-butyl-3-methylimidazol-3-ium;methyl sulfate,CCCCN1C=C[N+](=C1)C.COS(=O)(=O)[O-],"InChI=1S/C8H15N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",MEMNKNZDROKJHP-UHFFFAOYSA-M,C9H18N2O4S,250.32,250.0987282,,83.6,184,0,0,4,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-(CYANOMETHYL)-3-METHYLIMIDAZOLIUM CHLORIDE,154312-63-7,2849431,2-(3-methylimidazol-3-ium-1-yl)acetonitrile chloride,C[N+]1=CN(C=C1)CC#N.[Cl-],"InChI=1S/C6H8N3.ClH/c1-8-4-5-9(6-8)3-2-7;/h4-6H,3H2,1H3;1H/q+1;/p-1",WBDDQUDDZPKVRV-UHFFFAOYSA-M,C6H8ClN3,157.6,157.040675,,32.6,134,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM IODIDE,035935-34-3,11075478,1-ethyl-3-methylimidazol-3-ium iodide,CCN1C=C[N+](=C1)C.[I-],"InChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1",IKQCDTXBZKMPBB-UHFFFAOYSA-M,C6H11IN2,238.07,237.9967,,8.8,72,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE,174501-64-5,2734174,1-butyl-3-methylimidazol-3-ium hexafluorophosphate,CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F,"InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1",IXQYBUDWDLYNMA-UHFFFAOYSA-N,C8H15F6N2P,284.18,284.0877045,,8.8,156,0,0,7,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HEXYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE,304680-35-1,2734175,1-hexyl-3-methylimidazol-3-ium hexafluorophosphate,CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F,"InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1",YPWSSSRXUOQNMQ-UHFFFAOYSA-N,C10H19F6N2P,312.24,312.1190046,,8.8,177,0,0,7,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Octyl-3-Methylimidazolium Chloride,064697-40-1,2734223,1-methyl-3-octylimidazol-1-ium chloride,CCCCCCCCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1",OXFBEEDAZHXDHB-UHFFFAOYSA-M,C12H23ClN2,230.78,230.1549764,,8.8,136,0,0,1,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HEXYL-3-METHYLIMIDAZOLIUM CHLORIDE,171058-17-6,2734163,1-hexyl-3-methylimidazol-3-ium chloride,CCCCCCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C10H19N2.ClH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1",NKRASMXHSQKLHA-UHFFFAOYSA-M,C10H19ClN2,202.72,202.1236763,,8.8,114,0,0,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DIDECYL-2-METHYL-1H-IMIDAZOLIUM CHLORIDE",070862-65-6,2775940,"1,3-didecyl-2-methylimidazol-1-ium chloride",CCCCCCCCCCN1C=C[N+](=C1C)CCCCCCCCCC.[Cl-],"InChI=1S/C24H47N2.ClH/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21H2,1-3H3;1H/q+1;/p-1",GJYWPRKIEORZLX-UHFFFAOYSA-M,C24H47ClN2,399.1,398.3427772,,8.8,264,0,0,1,18,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-3-PROPYLIMIDAZOLIUM IODIDE,119171-18-5,12971008,1-methyl-3-propylimidazol-1-ium iodide,CCCN1C=C[N+](=C1)C.[I-],"InChI=1S/C7H13N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1",IVCMUVGRRDWTDK-UHFFFAOYSA-M,C7H13IN2,252.1,252.01235,,8.8,83,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIISOPROPYLIMIDAZOLIUM CHLORIDE",139143-09-2,11229242,"1,3-di(propan-2-yl)imidazol-1-ium chloride",CC(C)N1C=C[N+](=C1)C(C)C.[Cl-],"InChI=1S/C9H17N2.ClH/c1-8(2)10-5-6-11(7-10)9(3)4;/h5-9H,1-4H3;1H/q+1;/p-1",DOFXKPAOJLLPII-UHFFFAOYSA-M,C9H17ClN2,188.7,188.1080262,,8.8,107,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DI-TERT-BUTYLIMIDAZOLIUM TETRAFLUOROBORATE",263163-17-3,16217979,"1,3-ditert-butylimidazol-1-ium tetrafluoroborate",[B-](F)(F)(F)F.CC(C)(C)N1C=C[N+](=C1)C(C)(C)C,"InChI=1S/C11H21N2.BF4/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;2-1(3,4)5/h7-9H,1-6H3;/q+1;-1",OOFLHRYFPBGTPQ-UHFFFAOYSA-N,C11H21BF4N2,268.1,268.1733915,,8.8,173,0,0,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIMETHOXYIMIDAZOLIUM HEXAFLUOROPHOSPHATE",951020-81-8,71310907,"1,3-dimethoxyimidazol-1-ium hexafluorophosphate",CON1C=C[N+](=C1)OC.F[P-](F)(F)(F)(F)F,"InChI=1S/C5H9N2O2.F6P/c1-8-6-3-4-7(5-6)9-2;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1",KBRFXVGODOTNGL-UHFFFAOYSA-N,C5H9F6N2O2P,274.1,274.0305835,,27.3,142,0,0,9,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM BROMIDE,065039-08-9,2734235,1-ethyl-3-methylimidazol-3-ium bromide,CCN1C=C[N+](=C1)C.[Br-],"InChI=1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1",GWQYPLXGJIXMMV-UHFFFAOYSA-M,C6H11BrN2,191.07,190.01056,,8.8,72,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROACETATE,174899-94-6,10125280,"1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate",CCCCN1C=C[N+](=C1)C.C(=O)(C(F)(F)F)[O-],"InChI=1S/C8H15N2.C2HF3O2/c1-3-4-5-10-7-6-9(2)8-10;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/q+1;/p-1",QPDGLRRWSBZCHP-UHFFFAOYSA-M,C10H15F3N2O2,252.23,252.1085622,,48.9,171,0,0,5,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ETHYL-1-METHYL-1H-IMIDAZOLIUM ACETATE,143314-17-4,11658353,1-ethyl-3-methylimidazol-3-ium acetate,CCN1C=C[N+](=C1)C.CC(=O)[O-],"InChI=1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",XIYUIMLQTKODPS-UHFFFAOYSA-M,C8H14N2O2,170.21,170.1055277,,48.9,98,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
1-ETHYL-3-METHYLIMIDAZOLIUM CHLORIDE-D11,160203-52-1,16213510,"2,4,5-trideuterio-1-(1,1,2,2,2-pentadeuterioethyl)-3-(trideuteriomethyl)imidazol-1-ium chloride",[2H]C1=C([N+](=C(N1C([2H])([2H])[2H])[2H])C([2H])([2H])C([2H])([2H])[2H])[2H].[Cl-],"InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1/i1D3,2D3,3D2,4D,5D,6D;",BMQZYMYBQZGEEY-WQTMNAJCSA-M,C6H11ClN2,157.68,157.1301203,,8.8,72,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-ALLYL-3-METHYLIMIDAZOLIUM CHLORIDE,065039-10-3,11321106,1-methyl-3-prop-2-enylimidazol-1-ium chloride,C[N+]1=CN(C=C1)CC=C.[Cl-],"InChI=1S/C7H11N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1",QVRCRKLLQYOIKY-UHFFFAOYSA-M,C7H11ClN2,158.63,158.0610761,,8.8,101,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DECYL-3-METHYLIMIDAZOLIUM CHLORIDE,171058-18-7,2734225,1-decyl-3-methylimidazol-3-ium chloride,CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C14H27N2.ClH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1",HTZVLLVRJHAJJF-UHFFFAOYSA-M,C14H27ClN2,258.83,258.1862766,,8.8,159,0,0,1,9,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLIMIDAZOLIUM IODIDE,65039-05-6,11448496,1-butyl-3-methylimidazol-3-ium iodide,CCCCN1C=C[N+](=C1)C.[I-],"InChI=1S/C8H15N2.HI/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1",XREPTGNZZKNFQZ-UHFFFAOYSA-M,C8H15IN2,266.12,266.028,,8.8,93,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM METHYL SULFATE,516474-01-4,16211409,1-ethyl-3-methylimidazol-3-ium;methyl sulfate,CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-],"InChI=1S/C6H11N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",BXSDLSWVIAITRQ-UHFFFAOYSA-M,C7H14N2O4S,222.26,222.0674281,,83.6,164,0,0,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(2-HYDROXYETHYL)-3-METHYLIMIDAZOLIUM 
BIS(TRIFLUOROMETHYLSULFONYL)IMIDE",174899-86-6,12040512,bis(trifluoromethylsulfonyl)azanide;2-(3-methylimidazol-3-ium-1-yl)ethanol,C[N+]1=CN(C=C1)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C6H11N2O.C2F6NO4S2/c1-7-2-3-8(6-7)4-5-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,6,9H,4-5H2,1H3;/q+1;-1",GIIZYNGNGTZORC-UHFFFAOYSA-N,C8H11F6N3O5S2,407.3,407.0044318,,115,461,0,1,12,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-N-BUTYL-3-METHYLIMIDAZOLIUM N-OCTYLSULFATE,445473-58-5,12095226,1-butyl-3-methylimidazol-3-ium;octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].CCCCN1C=C[N+](=C1)C,"InChI=1S/C8H15N2.C8H18O4S/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-4-5-6-7-8-12-13(9,10)11/h6-8H,3-5H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1",KIDIBVPFLKLKAH-UHFFFAOYSA-M,C16H32N2O4S,348.5,348.2082787,,83.6,273,0,0,4,10,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(3-CYANOPROPYL)-3-METHYLIMIDAZOLIUM DICYANAMIDE,,16218524,cyanoiminomethylideneazanide;4-(3-methylimidazol-3-ium-1-yl)butanenitrile,C[N+]1=CN(C=C1)CCCC#N.C(=[N-])=NC#N,"InChI=1S/C8H12N3.C2N3/c1-10-6-7-11(8-10)5-3-2-4-9;3-1-5-2-4/h6-8H,2-3,5H2,1H3;/q+1;-1",GPLYXNDEHINOHN-UHFFFAOYSA-N,C10H12N6,216.24,216.1123444,,69.8,244,0,0,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-METHYLIMIDAZOLIUM METHANESULFONATE,,16211849,1-ethyl-3-methylimidazol-3-ium;methanesulfonate,CCN1C=C[N+](=C1)C.CS(=O)(=O)[O-],"InChI=1S/C6H11N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",IXLWEDFOKSJYBD-UHFFFAOYSA-M,C7H14N2O3S,206.27,206.0725135,,74.4,152,0,0,3,1,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
1-ALLYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,655249-87-9,71310876,bis(trifluoromethylsulfonyl)azanide;1-methyl-3-prop-2-enylimidazol-1-ium,C[N+]1=CN(C=C1)CC=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C7H11N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,5-7H,1,4H2,2H3;/q+1;-1",DHMWATGUEVQTIY-UHFFFAOYSA-N,C9H11F6N3O4S2,403.3,403.0095172,,94.9,475,0,0,11,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-ALLYL-3-METHYLIMIDAZOLIUM DICYANAMIDE,917956-73-1,71310877,cyanoiminomethylideneazanide;1-methyl-3-prop-2-enylimidazol-1-ium,C[N+]1=CN(C=C1)CC=C.C(=[N-])=NC#N,"InChI=1S/C7H11N2.C2N3/c1-3-4-9-6-5-8(2)7-9;3-1-5-2-4/h3,5-7H,1,4H2,2H3;/q+1;-1",LAYIDOPTTZCESY-UHFFFAOYSA-N,C9H11N5,189.22,189.1014454,,46,187,0,0,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLIUM, 1-ETHENYL-3-METHYL-, METHYL SULFATE",026591-72-0,168565,1-ethenyl-3-methylimidazol-3-ium;methyl sulfate,C[N+]1=CN(C=C1)C=C.COS(=O)(=O)[O-],"InChI=1S/C6H9N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h3-6H,1H2,2H3;1H3,(H,2,3,4)/q+1;/p-1",BZVFPIHTRLNAQA-UHFFFAOYSA-M,C7H12N2O4S,220.25,220.051778,,83.6,181,0,0,4,1,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazolium, 1,3-dimethyl-, iodide",4333-62-4,20334,"1,3-dimethylimidazol-1-ium iodide",CN1C=C[N+](=C1)C.[I-],"InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1",ARSMIBSHEYKMJT-UHFFFAOYSA-M,C5H9IN2,224.04,223.98105,,8.8,55,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Imidazolium, 1-hexadecyl-3-methyl-, chloride (1:1)",61546-01-8,2734231,1-hexadecyl-3-methylimidazol-3-ium chloride,CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-],"InChI=1S/C20H39N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-20H,3-17H2,1-2H3;1H/q+1;/p-1",ZCPPLZJPPBIWRU-UHFFFAOYSA-M,C20H39ClN2,343,342.2801769,,8.8,230,0,0,1,15,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Imidazolium, 1,3-bis((dimethylamino)carbonyl)-, chloride",135756-61-5,3077851,"1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide chloride",CN(C)C(=O)N1C=C[N+](=C1)C(=O)N(C)C.[Cl-],"InChI=1S/C9H15N4O2.ClH/c1-10(2)8(14)12-5-6-13(7-12)9(15)11(3)4;/h5-7H,1-4H3;1H/q+1;/p-1",ZSVLFJUDFXBZTG-UHFFFAOYSA-M,C9H15ClN4O2,246.69,246.0883534,,49.4,239,0,0,3,0,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Octyl-1H-imidazol-3-ium, 1-methyl-, tetrafluoroborate",244193-52-0,11460221,1-methyl-3-octylimidazol-1-ium tetrafluoroborate,[B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C,"InChI=1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1",GXZCAMSPWNHTAE-UHFFFAOYSA-N,C12H23BF4N2,282.13,282.1890416,,8.8,155,0,0,5,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRROLIDINE,000123-75-1,31268,pyrrolidine,C1CCNC1,"InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",RWRDLPDLKQPQOW-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.5,12,22,0,1,1,0,5,"37 °F (NFPA, 2010)",86.56 °C,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
1-METHYLPYRROLIDINE,000120-94-5,8454,1-methylpyrrolidine,CN1CCCC1,"InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3",AVFZOVWCLRSYKC-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.9,3.2,37,0,0,1,0,6,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"PYRROLIDINE, 2-METHYL-",000765-38-8,13003,2-methylpyrrolidine,CC1CCCN1,"InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3",RGHPCLZJAFCTIK-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.7,12,43,0,1,1,0,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PYRROLIDINE, 1-(TRIMETHYLSILYL)-",015097-49-1,84791,trimethyl(pyrrolidin-1-yl)silane,C[Si](C)(C)N1CCCC1,"InChI=1S/C7H17NSi/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3",NQLVIKZJXFGUET-UHFFFAOYSA-N,C7H17NSi,143.3,143.1130261,,3.2,89,0,0,1,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-BUTYLPYRROLIDINE,000767-10-2,69843,1-butylpyrrolidine,CCCCN1CCCC1,"InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3",JSHASCFKOSDFHY-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,2,3.2,65,0,0,1,3,9,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(S)-(-)-3-(DIMETHYLAMINO)PYRROLIDINE,132883-44-4,7019156,"(3S)-N,N-dimethylpyrrolidin-3-amine",CN(C)[C@H]1CCNC1,"InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1",AVAWMINJNRAQFS-LURJTMIESA-N,C6H14N2,114.19,114.1156985,0,15.3,70,0,1,2,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-3-(DIMETHYLAMINO)PYRROLIDINE,132958-72-6,2758521,"(3R)-N,N-dimethylpyrrolidin-3-amine",CN(C)[C@@H]1CCNC1,"InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1",AVAWMINJNRAQFS-ZCFIWIBFSA-N,C6H14N2,114.19,114.1156985,0,15.3,70,0,1,2,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-PYRROLIDINEETHANAMINE,007154-73-6,1344,2-pyrrolidin-1-ylethanamine,C1CCN(C1)CCN,InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2,WRXNJTBODVGDRY-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0.1,29.3,57,0,1,2,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-Pyrrolidineethanol,002955-88-6,76288,2-pyrrolidin-1-ylethanol,C1CCN(C1)CCO,"InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2",XBRDBODLCHKXHI-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.6,23.5,59,0,1,2,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-NITROSOPYRROLIDINE,000930-55-2,13591,1-nitrosopyrrolidine,C1CCN(C1)N=O,InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,WNYADZVDBIBLJJ-UHFFFAOYSA-N,C4H8N2O,100.12,100.0636629,-0.2,32.7,68,0,0,3,0,7,"181 °F (NTP, 1992)","417 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
1-PYRROLIDINEPROPANAMINE,023159-07-1,31670,3-pyrrolidin-1-ylpropan-1-amine,C1CCN(C1)CCCN,InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2,VPBWZBGZWHDNKL-UHFFFAOYSA-N,C7H16N2,128.22,128.1313485,0.2,29.3,67,0,1,2,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(AMINOMETHYL)-PROXYL,054606-49-4,3035479,,CC1(CC(C(N1[O])(C)C)CN)C,"InChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3",MMNYKXJVNIIIEG-UHFFFAOYSA-N,C9H19N2O,171.26,171.1497382,0.5,30.3,177,0,1,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PYRROLIDINECARBOXALDEHYDE,003760-54-1,77372,pyrrolidine-1-carbaldehyde,C1CCN(C1)C=O,"InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2",AGRIQBHIKABLPJ-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,-0.3,20.3,66,0,0,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(CYANOACETYL)PYRROLIDINE,014227-95-3,84272,3-oxo-3-pyrrolidin-1-ylpropanenitrile,C1CCN(C1)C(=O)CC#N,"InChI=1S/C7H10N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-3,5-6H2",VEUDVNNBYYRZBV-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.1,44.1,173,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-PROLINE, 4-HYDROXY-, CIS-",000618-27-9,440015,"(2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid",C1[C@@H](CN[C@@H]1C(=O)O)O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1",PMMYEEVYMWASQN-IMJSIDKUSA-N,C5H9NO3,131.13,131.0582431,-3.3,69.6,125,0,3,4,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYOXYPROPYLENE DIAMINE,009046-10-0,13329881,"pyrrolidine-3,4-diol",C1C(C(CN1)O)O,"InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2",JCZPOYAMKJFOLA-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-1.7,52.5,58,0,3,3,0,7,,,0,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PYRROLIDINECARBONYL CHLORIDE,001192-63-8,70937,pyrrolidine-1-carbonyl chloride,C1CCN(C1)C(=O)Cl,InChI=1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2,XACWJIQLDLUFSR-UHFFFAOYSA-N,C5H8ClNO,133.57,133.0294416,1.3,20.3,98,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PYRROLIDINYLOXY, 3-AMINO-2,2,5,5-TETRAMETHYL-",034272-83-8,558590,"1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine",CC1(CC(C(N1O)(C)C)N)C,"InChI=1S/C8H18N2O/c1-7(2)5-6(9)8(3,4)10(7)11/h6,11H,5,9H2,1-4H3",USGBLEMQARVRDC-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,0.3,49.5,165,0,2,3,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(4R)-1-ACETYL-4-HYDROXY-L-PROLINE,033996-33-7,65784,"(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid",CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O,"InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1",BAPRUDZDYCKSOQ-RITPCOANSA-N,C7H11NO4,173.17,173.0688078,-1.1,77.8,215,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM 1-PYRROLIDINECARBODITHIOATE,005108-96-3,517348,azanium pyrrolidine-1-carbodithioate,C1CCN(C1)C(=S)[S-].[NH4+],"InChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3",MDDIUTVUBYEEEM-UHFFFAOYSA-N,C5H12N2S2,164.3,164.0441907,,37.3,91,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-4-HYDROXY-L-PROLINE,000051-35-4,5810,"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",C1[C@H](CN[C@@H]1C(=O)O)O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",PMMYEEVYMWASQN-DMTCNVIQSA-N,C5H9NO3,131.13,131.0582431,-3.3,69.6,125,0,3,4,1,9,,Decomposes,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2R,5R)-BIS(HYDROXYMETHYL)-(3R,4R)-DIHYDROXYPYRROLIDINE",059920-31-9,124702,"(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol",C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O,"InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",PFYHYHZGDNWFIF-KVTDHHQDSA-N,C6H13NO4,163.17,163.0844579,-1.8,93,118,0,5,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(+)-2-PYRROLIDINEMETHANOL,023356-96-9,640091,[(2S)-pyrrolidin-2-yl]methanol,C1C[C@H](NC1)CO,"InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1",HVVNJUAVDAZWCB-YFKPBYRVSA-N,C5H11NO,101.15,101.084064,-0.3,32.3,56,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-PROLINE METHYL ESTER HYDROCHLORIDE,002133-40-6,2733200,methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride,COC(=O)[C@@H]1CCCN1.Cl,"InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1",HQEIPVHJHZTMDP-JEDNCBNOSA-N,C6H12ClNO2,165.62,165.0556563,,38.3,114,0,2,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(TERT-BUTOXYCARBONYL)-L-PROLINE,015761-39-4,85083,(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O,"InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1",ZQEBQGAAWMOMAI-ZETCQYMHSA-N,C10H17NO4,215.25,215.115758,1.5,66.8,269,0,1,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-PROLINE,000344-25-2,8988,(2R)-pyrrolidine-2-carboxylic acid,C1C[C@@H](NC1)C(=O)O,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",ONIBWKKTOPOVIA-SCSAIBSYSA-N,C5H9NO2,115.13,115.0633285,-2.5,49.3,103,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYL-L-PROLINE,000068-95-1,66141,(2S)-1-acetylpyrrolidine-2-carboxylic acid,CC(=O)N1CCC[C@H]1C(=O)O,"InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1",GNMSLDIYJOSUSW-LURJTMIESA-N,C7H11NO3,157.17,157.0738932,-0.7,57.6,190,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(METHYLSULFONYL)PYRROLIDINE,433980-62-2,3419356,3-methylsulfonylpyrrolidine,CS(=O)(=O)C1CCNC1,"InChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3",XCEGFNRUBBVHJT-UHFFFAOYSA-N,C5H11NO2S,149.21,149.0510498,-0.6,54.6,180,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRROLIDINECARBOXAMIDE, 2,2,5,5-TETRAMETHYL-",000702-96-5,69708,"2,2,5,5-tetramethylpyrrolidine-3-carboxamide",CC1(CC(C(N1)(C)C)C(=O)N)C,"InChI=1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12)",POAGFQOGFRYOFM-UHFFFAOYSA-N,C9H18N2O,170.25,170.1419132,0,55.1,209,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PYRROLIDINYLOXY, 3-CARBOXY-2,2,5,5-TETRAMETHYL-",002154-68-9,519874,,CC1(CC(C(N1[O])(C)C)C(=O)O)C,"InChI=1S/C9H16NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6H,5H2,1-4H3,(H,11,12)",GEPIUTWNBHBHIO-UHFFFAOYSA-N,C9H16NO3,186.23,186.1130184,-1.6,41.5,235,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-1-(3-MERCAPTO-2-METHYL-1-OXOPROPYL)-L-PROLINE,062571-86-2,44093,(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",FAKRSMQSSFJEIM-RQJHMYQMSA-N,C9H15NO3S,217.29,217.0772645,0.3,58.6,244,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
"L-PROLINE, 1-(1-OXOHEXADECYL)-4-[(1-OXOHEXADECYL)OXY]-, TRANS-",041672-81-5,170556,"(2S,4R)-1-hexadecanoyl-4-hexadecanoyloxypyrrolidine-2-carboxylic acid",CCCCCCCCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1",QZLXCFQVOCEKSX-NOCHOARKSA-N,C37H69NO5,607.9,607.5175743,14.1,83.9,696,0,1,5,31,43,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-Proline, 4-hydroxy-1-methyl-, (4R)-",4252-82-8,11768700,"(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid",CN1C[C@@H](C[C@H]1C(=O)O)O,"InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1",FMIPNAUMSPFTHK-UHNVWZDZSA-N,C6H11NO3,145.16,145.0738932,-2.9,60.8,148,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 1-(6-(diethylamino)-2-hexynyl)-",6628-90-6,96200,"N,N-diethyl-6-pyrrolidin-1-ylhex-4-yn-1-amine",CCN(CC)CCCC#CCN1CCCC1,"InChI=1S/C14H26N2/c1-3-15(4-2)11-7-5-6-8-12-16-13-9-10-14-16/h3-5,7,9-14H2,1-2H3",QOCRDZQDEHRKSS-UHFFFAOYSA-N,C14H26N2,222.37,222.2095988,2.4,6.5,226,0,0,2,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 1-(2-chloroethyl)-, hydrochloride",7250-67-1,81668,1-(2-chloroethyl)pyrrolidine;hydrochloride,C1CCN(C1)CCCl.Cl,InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H,FSNGFFWICFYWQC-UHFFFAOYSA-N,C6H13Cl2N,170.08,169.0425048,,3.2,59,0,1,1,2,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Proline, N-nitroso-, L-",7519-36-0,10419304,(2S)-1-nitrosopyrrolidine-2-carboxylic acid,C1C[C@H](N(C1)N=O)C(=O)O,"InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)/t4-/m0/s1",WLKPHJWEIIAIFW-BYPYZUCNSA-N,C5H8N2O3,144.13,144.0534921,0.3,70,159,0,1,5,1,10,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,1,0,1,0,0,1
"3-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, (2S-(2-alpha,3-beta,4-beta(1Z,3E,5S*)))-",14277-97-5,5282253,"(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid",C[C@H](/C=C/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,"InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1",VZFRNCSOCOPNDB-AOKDLOFSSA-N,C15H21NO6,311.33,311.1368874,-1.3,124,510,0,4,7,7,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-Pyrrolidinepropanol,19748-66-4,209342,3-pyrrolidin-1-ylpropan-1-ol,C1CCN(C1)CCCO,"InChI=1S/C7H15NO/c9-7-3-6-8-4-1-2-5-8/h9H,1-7H2",ZMJQROKRSPSLFH-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.4,23.5,69,0,1,2,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, pyrrolidin-1-yl-, methyl ester",22041-18-5,30903,methyl 2-pyrrolidin-1-ylacetate,COC(=O)CN1CCCC1,"InChI=1S/C7H13NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-6H2,1H3",BMWOSLXYXGTLAR-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,0.7,29.5,119,0,0,3,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 3-(pyrrolidin-1-yl)-, methyl ester",22041-21-0,89167,methyl 3-pyrrolidin-1-ylpropanoate,COC(=O)CCN1CCCC1,"InChI=1S/C8H15NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h2-7H2,1H3",JHYKOXJKJHTKTE-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,0.6,29.5,130,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetaldehyde, diethyl acetal",23098-07-9,96290,"1-(2,2-diethoxyethyl)pyrrolidine",CCOC(CN1CCCC1)OCC,"InChI=1S/C10H21NO2/c1-3-12-10(13-4-2)9-11-7-5-6-8-11/h10H,3-9H2,1-2H3",PYFLZPWAPYSHHP-UHFFFAOYSA-N,C10H21NO2,187.28,187.1572289,1.4,21.7,118,0,0,3,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, hydrochloride",25150-61-2,212848,pyrrolidine;hydrochloride,C1CCNC1.Cl,"InChI=1S/C4H9N.ClH/c1-2-4-5-3-1;/h5H,1-4H2;1H",FCLZCOCSZQNREK-UHFFFAOYSA-N,C4H10ClN,107.58,107.050177,,12,22,0,2,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"L-Prolinamide, N-((4-nitrophenyl)methoxy)-, monohydrochloride",26048-87-3,111306,(2S)-pyrrolidine-2-carboxamide,C1C[C@H](NC1)C(=O)N,"InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1",VLJNHYLEOZPXFW-BYPYZUCNSA-N,C5H10N2O,114.15,114.0793129,-0.9,55.1,103,0,2,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Pyrrolidinepropionitrile,26165-45-7,117743,3-pyrrolidin-1-ylpropanenitrile,C1CCN(C1)CCC#N,"InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2",PDVYZQGNSCSKPG-UHFFFAOYSA-N,C7H12N2,124.18,124.1000484,0.4,27,116,0,0,2,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-2-oxo-",28478-57-1,138335,pyrrolidine-1-carboxamide,C1CCN(C1)C(=O)N,"InChI=1S/C5H10N2O/c6-5(8)7-3-1-2-4-7/h1-4H2,(H2,6,8)",LCDCPQHFCOBUEF-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.2,46.3,96,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Pyrrolidineacetonitrile,29134-29-0,95270,2-pyrrolidin-1-ylacetonitrile,C1CCN(C1)CC#N,"InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2",NPRYXVXVLCYBNS-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,0.5,27,105,0,0,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Pyrrolidinol, 1-ethyl-",30727-14-1,98203,1-ethylpyrrolidin-3-ol,CCN1CCC(C1)O,"InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3",IDBNECMSCRAUNU-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.1,23.5,74,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Pyrrolidinebutyronitrile,35543-25-0,118838,4-pyrrolidin-1-ylbutanenitrile,C1CCN(C1)CCCC#N,"InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2",OSDDDHPYSNZBPF-UHFFFAOYSA-N,C8H14N2,138.21,138.1156985,0.8,27,127,0,0,2,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Proline, 1-(aminocarbonyl)-",38605-65-1,217338,(2S)-1-carbamoylpyrrolidine-2-carboxylic acid,C1C[C@H](N(C1)C(=O)N)C(=O)O,"InChI=1S/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)/t4-/m0/s1",RTNFBJXLYMERBB-BYPYZUCNSA-N,C6H10N2O3,158.16,158.0691422,-0.5,83.6,192,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 2-chloromethyl-1-methyl-, hydrochloride",54288-69-6,198326,2-(chloromethyl)-1-methylpyrrolidine;hydrochloride,CN1CCCC1CCl.Cl,"InChI=1S/C6H12ClN.ClH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H",JMYYNTRVGBDWDB-UHFFFAOYSA-N,C6H13Cl2N,170.08,169.0425048,,3.2,74,0,1,1,1,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 2,5-dimethyl-N-nitroso-",55556-86-0,41467,"2,5-dimethyl-1-nitrosopyrrolidine",CC1CCC(N1N=O)C,"InChI=1S/C6H12N2O/c1-5-3-4-6(2)8(5)7-9/h5-6H,3-4H2,1-2H3",FRMDNAKEXMEBOM-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,0.9,32.7,106,0,0,3,0,9,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolidinol, 1-nitroso-",56222-35-6,3034827,1-nitrosopyrrolidin-3-ol,C1CN(CC1O)N=O,"InChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2",XDZKGLWJXJTZJZ-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-0.8,52.9,96,0,1,4,0,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 1-(2-ethyl-1-butenyl)-",66685-15-2,3050563,1-(2-ethylbut-1-enyl)pyrrolidine,CCC(=CN1CCCC1)CC,"InChI=1S/C10H19N/c1-3-10(4-2)9-11-7-5-6-8-11/h9H,3-8H2,1-2H3",NMCUYNPUEJQBIW-UHFFFAOYSA-N,C10H19N,153.26,153.1517496,3.2,3.2,126,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinemethanol, 1-(4-(phenylmethoxy)phenyl)-",73422-60-3,13400657,pyrrolidin-3-ylmethanol,C1CNCC1CO,"InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2",QOTUIIJRVXKSJU-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.5,32.3,56,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinemethanol, 1-((7-oxo-8-phenyl-7H-thieno(2,3-a)quinolizin-10-yl)carbonyl)-, (S)-",104587-11-3,90908,pyrrolidin-2-ylmethanol,C1CC(NC1)CO,"InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2",HVVNJUAVDAZWCB-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.3,32.3,56,0,2,2,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetic acid, 3-acetyl-2-(4-bromophenyl)-4,5-dioxo-",162518-26-5,414564,2-pyrrolidin-1-ylacetic acid,C1CCN(C1)CC(=O)O,"InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)",IPXNXMNCBXHYLQ-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-2.8,40.5,108,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidinepropanoic acid, 3-acetyl-2-(4-bromophenyl)-4,5-dioxo-",196796-19-7,558407,3-pyrrolidin-1-ylpropanoic acid,C1CCN(C1)CCC(=O)O,"InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)",BRSKDXVJFXXUKX-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,-2,40.5,119,0,1,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinol, 3-(6-hydroxy-2-naphthalenyl)-1,2-dimethyl-, hydrochloride, (2R,3S)-rel-",210828-80-1,98210,pyrrolidin-3-ol,C1CNCC1O,"InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2",JHHZLHWJQPUNKB-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.7,32.3,46,0,2,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinamine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-ethyl-, dihydrochloride,hydrate, D-(R)-",,164401,pyrrolidin-3-amine,C1CNCC1N,"InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2",NGXSWUFDCSEIOO-UHFFFAOYSA-N,C4H10N2,86.14,86.08439833,-0.9,38.1,44,0,2,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyrrolidine, 1-amino-, hydrochloride",,3017392,pyrrolidin-1-amine;hydrochloride,C1CCN(C1)N.Cl,InChI=1S/C4H10N2.ClH/c5-6-3-1-2-4-6;/h1-5H2;1H,KTVYGDJRKCXTRA-UHFFFAOYSA-N,C4H11ClN2,122.6,122.0610761,,29.3,38,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidinecarbothioamide, N-(2-butyl-4-oxo-3(4H)-quinazolinyl)-",,1559568,pyrrolidine-1-carbothioamide,C1CCN(C1)C(=S)N,"InChI=1S/C5H10N2S/c6-5(8)7-3-1-2-4-7/h1-4H2,(H2,6,8)",DJQOGYTZMZEXJN-UHFFFAOYSA-N,C5H10N2S,130.21,130.0564695,0.4,61.4,96,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinecarbonitrile, 1-(2-(4-(6-hydroxy-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)-, (3R)-",,22181493,pyrrolidine-3-carbonitrile,C1CNCC1C#N,"InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2",DATJETPTDKFEEF-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,-0.3,35.8,99,0,1,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolidinecarboxylic acid, 1-dodecyl-5-oxo-, methyl ester",,3034645,pyrrolidine-3-carboxylic acid,C1CNCC1C(=O)O,"InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)",JAEIBKXSIXOLOL-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-3.2,49.3,103,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-acetate",000052-21-1,5834,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,402.5,402.2042387,2.4,101,827,0,2,6,4,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-2,20-dione, 9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-, 16",000067-78-7,6216,"[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)OC(=O)C)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,478.5,478.2002961,1.9,127,1020,0,2,9,6,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-alpha-fluoro-11-beta,21-dihydroxy-16-alpha-meth",000152-97-6,9053,"(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",GAKMQHDJQHZUTJ-ULHLPKEOSA-N,C22H29FO4,376.5,376.2049876,2.4,74.6,743,0,2,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
SOLU-MEDROL,002375-03-3,23680530,"sodium 4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate",C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)[O-])O.[Na+],"InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1",FQISKWAFAHGMGT-SGJOWKDISA-M,C26H33NaO8,496.5,496.2073123,,141,988,0,2,8,7,35,,,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DEXAMETHASONE SODIUM PHOSPHATE,002392-39-4,16961,"disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+],"InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1",PLCQGRYPOISRTQ-FCJDYXGNSA-L,C22H28FNa2O8P,516.4,516.1301216,,147,961,0,2,9,3,34,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PREDNISOLONE,000050-24-8,5755,"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,360.4,360.193674,1.6,94.8,724,0,3,5,2,26,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.",000083-43-2,6741,"(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",VHRSUDSXCMQTMA-PJHHCJLFSA-N,C22H30O5,374.5,374.2093241,1.9,94.8,754,0,3,5,2,27,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-",000151-73-5,65478,"disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+],"InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1",PLCQGRYPOISRTQ-LWCNAHDDSA-L,C22H28FNa2O8P,516.4,516.1301216,,147,961,0,2,9,3,34,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BOLDENONE (17-beta-hydroxy-Androsta-1,4-dien-3-one)",000846-48-0,13308,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",RSIHSRDYCUFFLA-DYKIIFRCSA-N,C19H26O2,286.4,286.1932801,3.5,37.3,546,0,1,2,0,21,,,0,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-ox",080474-14-2,444036,"[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",WMWTYOKRWGGJOA-CENSZEJFSA-N,C25H31F3O5S,500.6,500.1844297,4,106,984,0,1,9,6,34,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,1,0
PREDNISOLONE SODIUM PHOSPHATE,000125-02-0,441409,"disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+].[Na+],"InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1",VJZLQIPZNBPASX-OJJGEMKLSA-L,C21H27Na2O8P,484.4,484.1238934,,147,878,0,2,8,3,32,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,21-dihydroxy-16-alpha-methyl-",000382-67-2,5311067,"(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",VWVSBHGCDBMOOT-IIEHVVJPSA-N,C22H29FO4,376.5,376.2049876,2.3,74.6,757,0,2,5,2,27,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(hydrogen succinate",001715-33-9,23680518,"sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+],"InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1",FKKAEMQFOIDZNY-CODXZCKSSA-M,C25H31NaO8,482.5,482.1916622,,141,957,0,2,8,7,34,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl",014899-36-6,63044,"[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,630.9,630.4295678,9.8,101,1130,0,2,7,18,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,17,21-trihydroxy-, 21-",023674-86-4,443936,"[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate",CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",WYQPLTPSGFELIB-JTQPXKBDSA-N,C27H34F2O7,508.5,508.2272597,3.4,107,1050,0,1,9,8,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-((1-oxopentyl)oxy)-,",072064-79-0,5284612,"[(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate",CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,486.6,486.2617536,4.3,107,980,0,1,7,9,35,,,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 7-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxoprop",066734-13-2,636374,"[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate",CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1",DJHCCTTVDRAMEH-DUUJBDRPSA-N,C28H37ClO7,521,520.2227812,3.2,107,1030,0,1,7,8,36,,,0,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-m",033564-31-7,71414,"[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F,"InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1",BOBLHFUVNSFZPJ-JOYXJVLSSA-N,C26H32F2O7,494.5,494.2116097,3,107,1050,0,1,9,6,35,,,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl",033755-46-3,63047,"[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate",CCCCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,476.6,476.2574171,3.6,101,957,0,2,7,7,34,,,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Androsta-1,4-dien-3-one, 11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)-, (11-beta",049697-38-3,5311412,"(8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1",QTTRZHGPGKRAFB-OOKHYKNYSA-N,C24H34O3,370.5,370.2507949,3.5,54.4,749,0,1,3,2,27,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DEXAMETHASONE,000050-02-2,5743,"(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,392.5,392.1999022,1.9,94.8,805,0,3,6,2,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1,0,1,1,1,1
CLOBETASOL PROPIONATE (FEMALE),025122-46-7,32798,"[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl,"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",CBGUOGMQLZIXBE-XGQKBEPLSA-N,C25H32ClFO5,467,466.19223,3.8,80.7,929,0,1,6,5,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
HALOBETASOL PROPIONATE,066852-54-8,6918178,"[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl,"InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1",BDSYKGHYMJNPAB-LICBFIPMSA-N,C25H31ClF2O5,485,484.1828081,3.7,80.7,964,0,1,7,5,33,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0
DEXAMETHASONE ACETATE,001177-87-3,236702,"[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,434.5,434.2104669,2.8,101,910,0,2,7,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
BECLOMETHASONE,004419-39-0,20469,"(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",NBMKJKDGKREAPL-DVTGEIKXSA-N,C22H29ClO5,408.9,408.1703517,2.2,94.8,805,0,3,5,2,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl",055541-30-5,63049,"[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate",CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,504.6,504.2523317,3.6,107,1050,0,1,8,8,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-",000378-44-9,9782,"(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,392.5,392.1999022,1.9,94.8,805,0,3,6,2,28,,568.2°C,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopent",002152-44-5,16533,"[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate",CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,476.6,476.2574171,3.6,101,957,0,2,7,7,34,,,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-",005593-20-4,21800,"[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate",CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,504.6,504.2523317,3.6,107,1050,0,1,8,8,36,,,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
DEHYDROCHLOROMETHYLTESTOSTERONE,002446-23-3,98521,"(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(=O)C=C[C@]34C)Cl,"InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1",AGUNEISBPXQOPA-XMUHMHRVSA-N,C20H27ClO2,334.9,334.1699578,4.4,37.3,636,0,1,2,0,23,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TRIAMCINOLONE,000124-94-7,31307,"(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,394.4,394.1791667,1.2,115,807,0,4,7,2,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
FLUMETHASONE PIVALATE,002002-29-1,443980,"[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F,"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1",JWRMHDSINXPDHB-OJAGFMMFSA-N,C27H36F2O6,494.6,494.2479952,3.9,101,1030,0,2,8,5,35,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,17,21-trihydroxy-16-al",002135-17-3,16490,"(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N,C22H28F2O5,410.5,410.1904803,1.9,94.8,839,0,3,7,2,29,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"17-beta-hydroxyandrosta-1,4-dien-3-one 10-undecenoate",013103-34-9,11954310,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",AHMMSNQYOPMLSX-CNQKSJKFSA-N,C30H44O3,452.7,452.3290453,8.2,43.4,807,0,0,3,11,33,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-6-alpha-methyl-, 21-acet",000053-36-1,5877,"[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O,"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1",PLBHSZGDDKCEHR-LFYFAGGJSA-N,C24H32O6,416.5,416.2198887,2.7,101,858,0,2,6,4,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"17-beta-hydroxy-17-alpha-methyl-Androsta-1,4-dien-3-one",000072-63-9,6300,"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",XWALNWXLMVGSFR-HLXURNFRSA-N,C20H28O2,300.4,300.2089301,3.6,37.3,589,0,1,2,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-alpha-fluoro-11-beta,17,21-trihydroxy-16-alpha-",001597-82-6,443928,"[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)F,"InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1",HYRKAAMZBDSJFJ-LFDBJOOHSA-N,C24H31FO6,434.5,434.2104669,2.5,101,895,0,2,7,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(hydrogen succinate",002920-86-7,656804,"4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,460.5,460.209718,1.8,138,950,0,3,8,7,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
BECLOMETHASONE DIPROPIONATE,005534-09-8,21700,"[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate",CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",KUVIULQEHSCUHY-XYWKZLDCSA-N,C28H37ClO7,521,520.2227812,3,107,1050,0,1,7,8,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16-methyl-21-((1-oxopenty",059198-70-8,91670,"[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate",CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C,"InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1",HHJIUUAMYGBVSD-YTFFSALGSA-N,C27H36F2O5,478.6,478.2530806,4.2,80.7,943,0,1,7,7,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropo",086401-95-8,63019,"[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",DALKLAYLIPSCQL-YPYQNWSCSA-N,C27H36O7,472.6,472.2461035,3.8,107,979,0,1,7,7,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl",000312-93-6,9400,"[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,472.4,472.1662331,0.1,141,973,0,4,9,4,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-, 21-acetate",000338-98-7,224246,"[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O,"InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",ZOCUOMKMBMEYQV-GSLJADNHSA-N,C23H29FO6,420.5,420.1948168,1.5,101,879,0,2,7,4,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-, (6-alpha,11-beta)-",53-34-9,5876,"(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)F)O,"InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1",MYYIMZRZXIQBGI-HVIRSNARSA-N,C21H27FO5,378.4,378.1842521,1.4,94.8,760,0,3,6,2,27,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-((1-oxohexyl)oxy)-, (6-alpha,11-beta,16-alpha)-",303-40-2,20054915,"[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate",CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",WHZRCUIISKRTJL-YTZKRAOUSA-N,C28H39FO5,474.6,474.2781525,4.9,80.7,908,0,1,6,8,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-,21-(dihydrogen phosphate)",360-63-4,107782,"[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,472.4,472.1662331,0.1,141,973,0,4,9,4,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6-alpha,11-beta)-",426-13-1,9878,"(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,376.5,376.2049876,2,74.6,787,0,2,5,1,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11-beta)-",1107-99-9,10095005,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,444.6,444.2511889,3.8,101,910,0,2,6,5,32,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione",1162-54-5,247929,"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",QIEPWCSVQYUPIY-LEKSSAKUSA-N,C21H28O2,312.4,312.2089301,4.1,34.1,628,0,0,2,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6-alpha,11-beta,16-beta)-",2557-49-5,71415,"(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",WXURHACBFYSXBI-XHIJKXOTSA-N,C22H28F2O5,410.5,410.1904803,1.9,94.8,839,0,3,7,2,29,,,0,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-,(6-alpha,11-beta)-",2921-57-5,16923,"4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid",C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,474.5,474.225368,2.2,138,981,0,3,8,7,34,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 21-hydroxy-",5508-55-4,227842,"17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)C=CC34C,"InChI=1S/C21H28O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h7,9,11,15-18,22H,3-6,8,10,12H2,1-2H3",ZDYFFPNLCUDFDB-UHFFFAOYSA-N,C21H28O3,328.4,328.2038448,3.1,54.4,645,0,1,3,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 21-((2,2-dimethyl-1-oxopropyl)oxy)-6-fluoro-11-hydroxy-16-methyl-, (6-alpha,11-beta,16-alpha)-",29205-06-9,119871,"[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)O)C)F,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",XZBJVIQXJHGUBE-HZMVJJPJSA-N,C27H37FO5,460.6,460.2625024,4.4,80.7,929,0,1,6,5,33,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 2-chloro-6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6-alpha,11-beta,16-alpha)-",50629-82-8,9846332,"(6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F,"InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1",GGXMRPUKBWXVHE-MIHLVHIWSA-N,C22H27ClF2O5,444.9,444.151508,2.6,94.8,889,0,3,7,2,30,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-((1-oxohexyl)oxy)-, (11-beta)-",69164-69-8,155202,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate",CCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O,"InChI=1S/C27H38O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",DNSAKUGJOSFARZ-FOMYWIRZSA-N,C27H38O6,458.6,458.2668389,4.3,101,889,0,2,6,8,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-, (11-beta)-",73771-04-7,6714002,"[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate",CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",FNPXMHRZILFCKX-KAJVQRHHSA-N,C27H36O8,488.6,488.2410181,4.2,116,982,0,1,8,9,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6-alpha,11-beta,16-alpha,17-alpha)-",90566-53-3,5311101,"S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",MGNNYOODZCAHBA-GQKYHHCASA-N,C22H27F3O4S,444.5,444.158215,3.2,99.9,861,0,2,8,3,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11-beta,16-alpha)-",105102-22-5,441335,"(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",QLIIKPVHVRXHRI-CXSFZGCWSA-N,C22H28Cl2O4,427.4,426.1364648,2.7,74.6,806,0,2,4,2,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)-, (11-beta,16-beta,17-alpha)-",,71470,"[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate",CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,518.6,518.2679817,3.4,107,1060,0,1,8,9,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
TRIHYDRO(PYRIDINE)BORON,000110-51-0,123022,pyridin-1-ium-1-ylboranuide,[BH3-][N+]1=CC=CC=C1,"InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3",LPGWNCNRGQANGC-UHFFFAOYSA-N,C5H8BN,92.94,93.0749794,,3.9,50,0,0,1,0,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PYRIDOSTIGMINE BROMIDE,000101-26-8,7550,"(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide",C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-],"InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1",VNYBTNPBYXSMOO-UHFFFAOYSA-M,C9H13BrN2O2,261.12,260.01604,,33.4,182,0,0,3,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CETYLPYRIDINIUM CHLORIDE MONOHYDRATE,006004-24-6,22324,1-hexadecylpyridin-1-ium;chloride;hydrate,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-],"InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1",NFCRBQADEGXVDL-UHFFFAOYSA-M,C21H40ClNO,358,357.2798426,,4.9,208,0,1,2,15,24,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYLPYRIDINIUM CHLORIDE,000123-03-5,31239,1-hexadecylpyridin-1-ium chloride,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1",YMKDRGPMQRFJGP-UHFFFAOYSA-M,C21H38ClN,340,339.2692779,,3.9,208,0,0,1,15,23,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
LAURYLPYRIDINIUM CHLORIDE,000104-74-5,7717,1-dodecylpyridin-1-ium chloride,CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1",GKQHIYSTBXDYNQ-UHFFFAOYSA-M,C17H30ClN,283.9,283.2066777,,3.9,161,0,0,1,11,19,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
1-(CYANOMETHYL)PYRIDINIUM CHLORIDE,017281-59-3,2734116,2-pyridin-1-ium-1-ylacetonitrile chloride,C1=CC=[N+](C=C1)CC#N.[Cl-],"InChI=1S/C7H7N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,7H2;1H/q+1;/p-1",HEJOROWXIWLCMS-UHFFFAOYSA-M,C7H7ClN2,154.6,154.0297759,,27.7,116,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROPYRIDINE 1-OXIDE,001124-33-0,14300,4-nitro-1-oxidopyridin-1-ium,C1=C[N+](=CC=C1[N+](=O)[O-])[O-],InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,RXKNNAKAVAHBNK-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,-0.6,71.3,125,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 4-METHYL-1-TETRADECYL-, CHLORIDE",002748-88-1,17672,4-methyl-1-tetradecylpyridin-1-ium,CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C,"InChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1",JDKRQGOIZPRQRU-UHFFFAOYSA-N,C20H36N+,290.5,290.2847752,7.9,3.9,206,1,0,0,13,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CETYLPYRIDINIUM BROMIDE,000140-72-7,8816,1-hexadecylpyridin-1-ium bromide,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-],"InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1",DVBJBNKEBPCGSY-UHFFFAOYSA-M,C21H38BrN,384.4,383.21876,,3.9,208,0,0,1,15,23,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYLPYRIDINIUM BROMIDE MONOHYDRATE,202869-92-9,16211806,1-hexadecylpyridin-1-ium;bromide;hydrate,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Br-],"InChI=1S/C21H38N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1",HVWZDJSNXREVCK-UHFFFAOYSA-M,C21H40BrNO,402.5,401.22933,,4.9,208,0,1,2,15,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-METHYL-, IODIDE",000930-73-4,13596,1-methylpyridin-1-ium iodide,C[N+]1=CC=CC=C1.[I-],"InChI=1S/C6H8N.HI/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1",HLNJFEXZDGURGZ-UHFFFAOYSA-M,C6H8IN,221.04,220.97015,,3.9,46,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-TETRADECYL-, CHLORIDE",002785-54-8,17735,1-tetradecylpyridin-1-ium chloride,CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1",YFVBASFBIJFBAI-UHFFFAOYSA-M,C19H34ClN,311.9,311.2379778,,3.9,184,0,0,1,13,21,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 4-ETHYL-, 1-OXIDE",014906-55-9,84683,4-ethyl-1-oxidopyridin-1-ium,CCC1=CC=[N+](C=C1)[O-],"InChI=1S/C7H9NO/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3",VFJRXOXKSUBBMR-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.7,25.5,77,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-LUTIDINE-N-OXIDE",001073-23-0,14083,"2,6-dimethyl-1-oxidopyridin-1-ium",CC1=[N+](C(=CC=C1)C)[O-],"InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",LIDGFHXPUOJZMK-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.7,25.5,84,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PYRIDINE-1-OXIDE,000694-59-7,12753,1-oxidopyridin-1-ium,C1=CC=[N+](C=C1)[O-],InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H,ILVXOBCQQYKLDS-UHFFFAOYSA-N,C5H5NO,95.1,95.03711378,-1.2,25.5,50,0,0,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICOTINIC ACID N-OXIDE,002398-81-4,16976,1-oxidopyridin-1-ium-3-carboxylic acid,C1=CC(=C[N+](=C1)[O-])C(=O)O,"InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)",FJCFFCXMEXZEIM-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,-0.6,62.8,137,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FORMYL-1-METHYLPYRIDINIUM CHLORIDE OXIME,000051-15-0,135445761,(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine chloride,C[N+]1=CC=CC=C1/C=N/O.[Cl-],"InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H",HIGSLXSBYYMVKI-UHFFFAOYSA-N,C7H9ClN2O,172.61,172.0403406,,36.5,125,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PYRIDINIUM TRIFLUOROMETHANESULFONATE,052193-54-1,2734866,pyridin-1-ium;trifluoromethanesulfonate,C1=CC=[NH+]C=C1.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C5H5N.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)",YWVYZMVYXAVAKS-UHFFFAOYSA-N,C6H6F3NO3S,229.18,229.0020487,,79.7,176,0,1,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(3-SULPHONATOPROPYL)-2-VINYLPYRIDINIUM,006613-64-5,81089,3-(2-ethenylpyridin-1-ium-1-yl)propane-1-sulfonate,C=CC1=CC=CC=[N+]1CCCS(=O)(=O)[O-],"InChI=1S/C10H13NO3S/c1-2-10-6-3-4-7-11(10)8-5-9-15(12,13)14/h2-4,6-7H,1,5,8-9H2",DNHDSWZXBHTLDP-UHFFFAOYSA-N,C10H13NO3S,227.28,227.0616145,0.9,69.5,281,0,0,3,4,15,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PYRIDINE, 2-METHYL-, 1-OXIDE",000931-19-1,13602,2-methyl-1-oxidopyridin-1-ium,CC1=CC=CC=[N+]1[O-],"InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",CFZKDDTWZYUZKS-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.3,25.5,74,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIDINECARBONITRILE, 1-OXIDE",014906-59-3,84684,1-oxidopyridin-1-ium-4-carbonitrile,C1=C[N+](=CC=C1C#N)[O-],InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H,QNCSFBSIWVBTHE-UHFFFAOYSA-N,C6H4N2O,120.11,120.0323628,-0.9,49.3,129,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-(2-PROPENYL)-, CHLORIDE",025965-81-5,11768804,1-prop-2-enylpyridin-1-ium chloride,C=CC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C8H10N.ClH/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H/q+1;/p-1",SMXYYZINIZFWMS-UHFFFAOYSA-M,C8H10ClN,155.62,155.050177,,3.9,82,0,0,1,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
N-(N-BUTYL)-.ALPHA.-PICOLINIUM BROMIDE (1-BUTYL-2-PICOLINIUM BROMIDE),026576-84-1,13240377,1-butyl-2-methylpyridin-1-ium bromide,CCCC[N+]1=CC=CC=C1C.[Br-],"InChI=1S/C10H16N.BrH/c1-3-4-8-11-9-6-5-7-10(11)2;/h5-7,9H,3-4,8H2,1-2H3;1H/q+1;/p-1",QVHDOABFJHOTIT-UHFFFAOYSA-M,C10H16BrN,230.14,229.04661,,3.9,101,0,0,1,3,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-FLUOROPYRIDINIUM TRIFLATE,107263-95-6,2724576,1-fluoropyridin-1-ium;trifluoromethanesulfonate,C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1",JFZMMCYRTJBQQI-UHFFFAOYSA-M,C6H5F4NO3S,247.17,246.9926268,,69.5,195,0,0,7,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GIRARD'S REAGENT P,001126-58-5,70773,2-pyridin-1-ium-1-ylacetohydrazide chloride,C1=CC=[N+](C=C1)CC(=O)NN.[Cl-],"InChI=1S/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H",NDXLVXDHVHWYFR-UHFFFAOYSA-N,C7H10ClN3O,187.63,187.0512396,,59,132,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PICOLINIC ACID N-OXIDE,000824-40-8,69986,1-oxidopyridin-1-ium-2-carboxylic acid,C1=CC=[N+](C(=C1)C(=O)O)[O-],"InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)",FHYMLBVGNFVFBT-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,0.3,62.8,137,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-1-METHYLPYRIDINIUM IODIDE,014338-32-0,167069,2-chloro-1-methylpyridin-1-ium iodide,C[N+]1=CC=CC=C1Cl.[I-],"InChI=1S/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1",ABFPKTQEQNICFT-UHFFFAOYSA-M,C6H7ClIN,255.48,254.93117,,3.9,74,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-4-(METHOXYCARBONYL)PYRIDINIUM IODIDE,001199-65-1,70984,methyl 1-ethylpyridin-1-ium-4-carboxylate iodide,CC[N+]1=CC=C(C=C1)C(=O)OC.[I-],"InChI=1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1",NGEAJXXGUZQCPN-UHFFFAOYSA-M,C9H12INO2,293.1,292.99128,,30.2,151,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(CARBOXYMETHYL) PYRIDINIUM CHLORIDE,006266-23-5,80439,2-pyridin-1-ium-1-ylacetic acid chloride,C1=CC=[N+](C=C1)CC(=O)O.[Cl-],"InChI=1S/C7H7NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-5H,6H2;1H",FPMXPTIRDWHULR-UHFFFAOYSA-N,C7H8ClNO2,173.6,173.0243562,,41.2,119,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-3-METHYLPYRIDINIUMBIS(TRIFLUORMETHYLSULFONYL)IMIDE,344790-86-9,16211286,bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylpyridin-1-ium,CCCC[N+]1=CC=CC(=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C10H16N.C2F6NO4S2/c1-3-4-7-11-8-5-6-10(2)9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1",NOFBAVDIGCEKOQ-UHFFFAOYSA-N,C12H16F6N2O4S2,430.4,430.0455683,,89.9,475,0,0,11,5,26,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PICOLINE-N-OXIDE,001003-67-4,13857,4-methyl-1-oxidopyridin-1-ium,CC1=CC=[N+](C=C1)[O-],"InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",IWYYIZOHWPCALJ-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.2,25.5,66,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(3-SULFOPROPYL)PYRIDINIUM, INNER SALT",015471-17-7,84929,3-pyridin-1-ium-1-ylpropane-1-sulfonate,C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-],"InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",REEBJQTUIJTGAL-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,0.1,69.5,213,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-(AMINOFORMYLMETHYL)PYRIDINIUM CHLORIDE,041220-29-5,2756440,2-pyridin-1-ium-1-ylacetamide chloride,C1=CC=[N+](C=C1)CC(=O)N.[Cl-],"InChI=1S/C7H8N2O.ClH/c8-7(10)6-9-4-2-1-3-5-9;/h1-5H,6H2,(H-,8,10);1H",IMJBHWDMQIYCEI-UHFFFAOYSA-N,C7H9ClN2O,172.61,172.0403406,,47,119,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 3-METHYL-, 1-OXIDE",001003-73-2,13858,3-methyl-1-oxidopyridin-1-ium,CC1=C[N+](=CC=C1)[O-],"InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",DMGGLIWGZFZLIY-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.2,25.5,74,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-ETHYL-, BROMIDE",001906-79-2,15927,1-ethylpyridin-1-ium bromide,CC[N+]1=CC=CC=C1.[Br-],"InChI=1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1",ABFDKXBSQCTIKH-UHFFFAOYSA-M,C7H10BrN,188.06,186.99966,,3.9,55,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-ETHYL-, CHLORIDE",002294-38-4,75299,1-ethylpyridin-1-ium chloride,CC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C7H10N.ClH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1",AMFMJCAPWCXUEI-UHFFFAOYSA-M,C7H10ClN,143.61,143.050177,,3.9,55,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIDINIUM, 1-(2-PROPENYL)-, BROMIDE",010129-44-9,82380,1-prop-2-enylpyridin-1-ium bromide,C=CC[N+]1=CC=CC=C1.[Br-],"InChI=1S/C8H10N.BrH/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H/q+1;/p-1",KLCKMAMMLDRAQP-UHFFFAOYSA-M,C8H10BrN,200.08,198.99966,,3.9,82,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PYRIDINECARBOXYLIC ACID, 1-OXIDE",013602-12-5,26130,1-oxidopyridin-1-ium-4-carboxylic acid,C1=C[N+](=CC=C1C(=O)O)[O-],"InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)",QCWTWMJMLSKQCJ-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,-0.6,62.8,129,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYLPYRIDINIUM CHLORIDE,001124-64-7,2734171,1-butylpyridin-1-ium chloride,CCCC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1",POKOASTYJWUQJG-UHFFFAOYSA-M,C9H14ClN,171.67,171.0814771,,3.9,74,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-(AMINOCARBONYL)-1-METHYLPYRIDINIUM CHLORIDE,001005-24-9,70495,1-methylpyridin-1-ium-3-carboxamide chloride,C[N+]1=CC=CC(=C1)C(=O)N.[Cl-],"InChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H",BWVDQVQUNNBTLK-UHFFFAOYSA-N,C7H9ClN2O,172.61,172.0403406,,47,136,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridinium, 2-formyl-1-methyl-, iodide, oxime",94-63-3,135410029,(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide,C[N+]1=CC=CC=C1/C=N/O.[I-],"InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H",QNBVYCDYFJUNLO-UHFFFAOYSA-N,C7H9IN2O,264.06,263.97596,,36.5,125,0,1,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Trigonelline,535-83-1,5570,1-methylpyridin-1-ium-3-carboxylate,C[N+]1=CC=CC(=C1)C(=O)[O-],"InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3",WWNNZCOKKKDOPX-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.2,44,130,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Picolinium, 1-methyl-, iodide",872-73-1,70107,"1,2-dimethylpyridin-1-ium iodide",CC1=CC=CC=[N+]1C.[I-],"InChI=1S/C7H10N.HI/c1-7-5-3-4-6-8(7)2;/h3-6H,1-2H3;1H/q+1;/p-1",HNULCUYNXDDQCB-UHFFFAOYSA-M,C7H10IN,235.07,234.9858,,3.9,70,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-methyl-4-nitro-, 1-oxide",1074-98-2,70633,3-methyl-4-nitro-1-oxidopyridin-1-ium,CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-],"InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3",SSOURMYKACOBIV-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,0.1,71.3,156,0,0,3,0,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 2-formyl-1-methyl-, methyl sulfate, oxime",1200-55-1,135539491,(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine;methyl sulfate,C[N+]1=CC=CC=C1/C=N/O.COS(=O)(=O)[O-],"InChI=1S/C7H8N2O.CH4O4S/c1-9-5-3-2-4-7(9)6-8-10;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)",OVPHBYQAKDEEBD-UHFFFAOYSA-N,C8H12N2O5S,248.26,248.0466927,,111,215,0,1,6,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Picolinium, 1-methyl-, iodide",2301-80-6,200603,"1,4-dimethylpyridin-1-ium iodide",CC1=CC=[N+](C=C1)C.[I-],"InChI=1S/C7H10N.HI/c1-7-3-5-8(2)6-4-7;/h3-6H,1-2H3;1H/q+1;/p-1",YOBTXORLVXZWSR-UHFFFAOYSA-M,C7H10IN,235.07,234.9858,,3.9,62,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-methyl-4-nitro-, 1-oxide",5470-66-6,95291,2-methyl-4-nitro-1-oxidopyridin-1-ium,CC1=[N+](C=CC(=C1)[N+](=O)[O-])[O-],"InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3",FTTIAVRPJGCXAC-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,0.1,71.3,156,0,0,3,0,11,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-hexyl-, chloride (1:1)",6220-15-1,2734172,1-hexylpyridin-1-ium chloride,CCCCCC[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C11H18N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10-11H,2-4,6,9H2,1H3;1H/q+1;/p-1",JEOSMYVMLZTQOH-UHFFFAOYSA-M,C11H18ClN,199.72,199.1127773,,3.9,95,0,0,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinol, 1-oxide",6602-28-4,23069,1-oxidopyridin-1-ium-3-ol,C1=CC(=C[N+](=C1)[O-])O,"InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H",YMEZKRMAPQIBQH-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-0.6,45.7,76,0,1,2,0,8,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 2-amino-1-methyl-, iodide",6964-53-0,12279860,1-methylpyridin-1-ium-2-amine iodide,C[N+]1=CC=CC=C1N.[I-],"InChI=1S/C6H8N2.HI/c1-8-5-3-2-4-6(8)7;/h2-5,7H,1H3;1H",FWASAFYSUHLJKM-UHFFFAOYSA-N,C6H9IN2,236.05,235.98105,,29.9,72,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 3-hydroxy-1-methyl-, iodide",5/2/00,202109,1-methylpyridin-1-ium-3-ol iodide,C[N+]1=CC=CC(=C1)O.[I-],"InChI=1S/C6H7NO.HI/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H",PTNGQQDWNQHRAZ-UHFFFAOYSA-N,C6H8INO,237.04,236.96506,,24.1,74,0,1,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1-methyl-, chloride",7680-73-1,82116,1-methylpyridin-1-ium chloride,C[N+]1=CC=CC=C1.[Cl-],"InChI=1S/C6H8N.ClH/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1",QAIGYXWRIHZZAA-UHFFFAOYSA-M,C6H8ClN,129.59,129.034527,,3.9,46,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridinium, 4-(cyano(hydroxyimino)methyl)-1-methyl-, iodide",35013-90-2,135534297,(2Z)-2-hydroxyimino-2-(1-methylpyridin-1-ium-4-yl)acetonitrile iodide,C[N+]1=CC=C(C=C1)/C(=N/O)/C#N.[I-],"InChI=1S/C8H7N3O.HI/c1-11-4-2-7(3-5-11)8(6-9)10-12;/h2-5H,1H3;1H",GJLIKEXLHKULBP-UHFFFAOYSA-N,C8H8IN3O,289.07,288.97121,,60.3,220,0,1,4,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-ethyl-4-nitro-, 1-oxide",35363-12-3,147607,3-ethyl-4-nitro-1-oxidopyridin-1-ium,CCC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-],"InChI=1S/C7H8N2O3/c1-2-6-5-8(10)4-3-7(6)9(11)12/h3-5H,2H2,1H3",DFWFKLVRAXNFAN-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,0.5,71.3,169,0,0,3,1,12,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide",37699-43-7,148223,"2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium",CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-],"InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3",CFMTVTYBZMKULI-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,0.5,71.3,180,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-ethyl-3-hydroxy-, bromide",80866-84-8,198590,1-ethylpyridin-1-ium-3-ol bromide,CC[N+]1=CC=CC(=C1)O.[Br-],"InChI=1S/C7H9NO.BrH/c1-2-8-5-3-4-7(9)6-8;/h3-6H,2H2,1H3;1H",ZGQVRFVHWWFKRP-UHFFFAOYSA-N,C7H10BrNO,204.06,202.99458,,24.1,85,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridinium, 1-butyl-4-methyl-, chloride (1:1)",112400-86-9,11074101,1-butyl-4-methylpyridin-1-ium chloride,CCCC[N+]1=CC=C(C=C1)C.[Cl-],"InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1",YTSDTJNDMGOTFN-UHFFFAOYSA-M,C10H16ClN,185.69,185.0971272,,3.9,93,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-butyl-3-methyl-, chloride (1:1)",125652-55-3,19876500,1-butyl-3-methylpyridin-1-ium chloride,CCCC[N+]1=CC=CC(=C1)C.[Cl-],"InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1",PHCASOSWUQOQAG-UHFFFAOYSA-M,C10H16ClN,185.69,185.0971272,,3.9,101,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROMELAMINE,007673-09-8,24322,"2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine",C1(=NC(=NC(=N1)NCl)NCl)NCl,"InChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)",KEPNSIARSTUPGS-UHFFFAOYSA-N,C3H3Cl3N6,229.45,227.948477,1.3,74.8,99,0,3,6,3,12,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE",000290-87-9,9262,"1,3,5-triazine",C1=NC=NC=N1,InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,JIHQDMXYYFUGFV-UHFFFAOYSA-N,C3H3N3,81.08,81.03269711,0,38.7,21,0,0,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-CHLORO-4,6-DIMETHOXY-1,3,5-TRIAZINE",003140-73-6,18450,"2-chloro-4,6-dimethoxy-1,3,5-triazine",COC1=NC(=NC(=N1)Cl)OC,InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,GPIQOFWTZXXOOV-UHFFFAOYSA-N,C5H6ClN3O2,175.57,175.0148541,1.5,57.1,114,0,0,5,2,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4,6-TRIS(TRIFLUOROMETHYL)-1,3,5-TRIAZINE",000368-66-1,9715,"2,4,6-tris(trifluoromethyl)-1,3,5-triazine",C1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15",LSGBKABSSSIRJF-UHFFFAOYSA-N,C6F9N3,285.07,284.9948505,2.7,38.7,233,0,0,12,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3,5-TRIAZIN-2-AMINE, 4-METHOXY-6-METHYL-",001668-54-8,15466,"4-methoxy-6-methyl-1,3,5-triazin-2-amine",CC1=NC(=NC(=N1)OC)N,"InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)",NXFQWRWXEYTOTK-UHFFFAOYSA-N,C5H8N4O,140.14,140.0698109,0.3,73.9,110,0,1,5,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRITHIONE, TRISODIUM SALT",017766-26-6,6099917,"trisodium;1,3,5-triazine-2,4,6-trithiolate",C1(=NC(=NC(=N1)[S-])[S-])[S-].[Na+].[Na+].[Na+],"InChI=1S/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3",NYVOYAFUSJONHU-UHFFFAOYSA-K,C3N3Na3S3,243.2,242.8947434,,41.7,69,0,0,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIALLYL CYANURATE,000101-37-1,7555,"2,4,6-tris(prop-2-enoxy)-1,3,5-triazine",C=CCOC1=NC(=NC(=N1)OCC=C)OCC=C,"InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2",BJELTSYBAHKXRW-UHFFFAOYSA-N,C12H15N3O3,249.27,249.1113414,2.8,66.4,218,0,0,6,9,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-ETHYLAMINO-4-ISOPROPYLAMINO-6-METHYLTHIO-1,3,5-TRIAZINE",000834-12-8,13263,"4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)SC)NC(C)C,"InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",RQVYBGPQFYCBGX-UHFFFAOYSA-N,C9H17N5S,227.33,227.1204667,3,88,178,0,2,6,5,15,,337 °C at 98.6 kPa,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRIS(TRICHLOROMETHYL)-S-TRIAZINE",006542-67-2,23038,"2,4,6-tris(trichloromethyl)-1,3,5-triazine",C1(=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C6Cl9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15",DXUMYHZTYVPBEZ-UHFFFAOYSA-N,C6Cl9N3,433.1,432.722996,4.9,38.7,233,0,0,3,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROMETON,001610-18-0,4928,"6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)OC)NC(C)C,"InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",ISEUFVQQFVOBCY-UHFFFAOYSA-N,C10H19N5O,225.29,225.1589603,3,72,182,0,2,6,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALTRETAMINE (MALE),000645-05-6,2123,"2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine",CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,UUVWYPNAQBNQJQ-UHFFFAOYSA-N,C9H18N6,210.28,210.1592946,2.7,48.4,148,0,0,6,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE, 2-METHYL-4,6-BIS(TRICHLOROMETHYL)-",000949-42-8,13703,"2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine",CC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3",LETDRANQSOEVCX-UHFFFAOYSA-N,C6H3Cl6N3,329.8,328.842863,3.7,38.7,202,0,0,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(TERT-BUTYLAMINO)-4-CHLORO-6-ETHYLAMINO)-S-TRIAZINE,005915-41-3,22206,"2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C,"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)",FZXISNSWEXTPMF-UHFFFAOYSA-N,C9H16ClN5,229.71,229.1094232,3.1,62.7,193,0,2,5,4,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TERBUTRYN (E),000886-50-0,13450,"2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)SC)NC(C)(C)C,"InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",IROINLKCQGIITA-UHFFFAOYSA-N,C10H19N5S,241.36,241.1361168,3.7,88,206,0,2,6,5,16,,154-160 °C at 0.06 mm Hg,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
ATRATON,001610-17-9,15359,"4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)OC)NC(C)C,"InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",PXWUKZGIHQRDHL-UHFFFAOYSA-N,C9H17N5O,211.26,211.1433102,2.7,72,178,0,2,6,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-CHLORO-N-ETHYL-1,3,5-TRIAZINE-2,4-DIAMINE",001007-28-9,13878,"6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)N)Cl,"InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)",IVENSCMCQBJAKW-UHFFFAOYSA-N,C5H8ClN5,173.6,173.046823,1.1,76.7,121,0,2,5,2,11,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CYANURIC CHLORIDE,000108-77-0,7954,"2,4,6-trichloro-1,3,5-triazine",C1(=NC(=NC(=N1)Cl)Cl)Cl,InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1,MGNCLNQXLYJVJD-UHFFFAOYSA-N,C3Cl3N3,184.41,182.91578,2.9,38.7,69,0,0,3,0,9,,192 °C,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
CYANAZINE,021725-46-2,30773,"2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile",CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,"InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",MZZBPDKVEFVLFF-UHFFFAOYSA-N,C9H13ClN6,240.69,240.0890221,2.2,86.5,272,0,2,6,4,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-CHLORO-N-(1-METHYLETHYL)-1,3,5-TRIAZINE-2,4-DIAMINE",006190-65-4,22563,"6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)N)Cl,"InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)",DFWFIQKMSFGDCQ-UHFFFAOYSA-N,C6H10ClN5,187.63,187.062473,1.5,76.7,142,0,2,5,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-",001014-70-6,13905,"2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)SC)NCC,"InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)",MGLWZSOBALDPEK-UHFFFAOYSA-N,C8H15N5S,213.31,213.1048167,2.5,88,143,0,2,6,5,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANURIC FLUORIDE,000675-14-9,12664,"2,4,6-trifluoro-1,3,5-triazine",C1(=NC(=NC(=N1)F)F)F,InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1,VMKJWLXVLHBJNK-UHFFFAOYSA-N,C3F3N3,135.05,135.0044315,1.3,38.7,69,0,0,6,0,9,,72.8 °C,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, TRISODIUM SALT",003047-33-4,76445,"trisodium;1,3,5-triazine-2,4,6-triolate",C1(=NC(=NC(=N1)[O-])[O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3",HWASUGAGLDBXHL-UHFFFAOYSA-K,C3N3Na3O3,195.02,194.9632737,,108,69,0,0,6,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"6-CHLORO-1,3,5-TRIAZINE-2,4-DIAMINE",003397-62-4,18831,"6-chloro-1,3,5-triazine-2,4-diamine",C1(=NC(=NC(=N1)Cl)N)N,"InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)",FVFVNNKYKYZTJU-UHFFFAOYSA-N,C3H4ClN5,145.55,145.0155228,-0.1,90.7,88,0,2,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE-2,4,6-TRIAMINE, N,N-DI-2-PROPENYL-",000091-77-0,66682,"2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine",C=CCN(CC=C)C1=NC(=NC(=N1)N)N,"InChI=1S/C9H14N6/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H4,10,11,12,13,14)",ROHTVIURAJBDES-UHFFFAOYSA-N,C9H14N6,206.25,206.1279945,1,94,199,0,2,6,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIAZINE-2,4-DIAMINE, 6-METHYL-",000542-02-9,10949,"6-methyl-1,3,5-triazine-2,4-diamine",CC1=NC(=NC(=N1)N)N,"InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)",NJYZCEFQAIUHSD-UHFFFAOYSA-N,C4H7N5,125.13,125.0701452,-0.3,90.7,85,0,2,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANOL, (1,3,5-TRIAZINE-2,4,6-TRIYLTRINITRILO)HEXAKIS-",000531-18-0,62361,"[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol",C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,"InChI=1S/C9H18N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h16-21H,1-6H2",YGCOKJWKWLYHTG-UHFFFAOYSA-N,C9H18N6O6,306.28,306.1287823,-2.2,170,223,0,6,12,9,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
MELAMINE-13C3,,71309406,"(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine",[13C]1(=N[13C](=N[13C](=N1)N)N)N,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i1+1,2+1,3+1",JDSHMPZPIAZGSV-VMIGTVKRSA-N,C3H6N6,129.1,129.0754587,-1.4,117,63,0,3,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
ATRAZINE,001912-24-9,2256,"6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)Cl)NC(C)C,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU-UHFFFAOYSA-N,C8H14ClN5,215.68,215.0937732,2.6,62.7,166,0,2,5,4,14,,"Decomposes (NIOSH, 2024)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
HEXA(METHOXYMETHYL) MELAMINE,003089-11-0,62479,"2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine",COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC,"InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3",BNCADMBVWNPPIZ-UHFFFAOYSA-N,C15H30N6O6,390.44,390.2226827,1,104,289,0,0,12,15,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIPHOSPHORIC ACID, COMPD. WITH 1,3,5-TRIAZINE-2,4,6-TRIAMINE",015541-60-3,167296,"phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine",C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)OP(=O)(O)O,"InChI=1S/C3H6N6.H4O7P2/c4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)",XZTOTRSSGPPNTB-UHFFFAOYSA-N,C3H10N6O7P2,304.1,304.0086207,,241,211,0,7,13,2,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"2,4,6-TRIS(PERFLUORONONYL)-1,3,5-TRIAZINE",057101-59-4,636356,"2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine",C1(=NC(=NC(=N1)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87",RTAZGRONMASOMW-UHFFFAOYSA-N,C30F57N3,1485.2,1484.918202,18.8,38.7,2280,0,0,60,24,90,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS(HEPTAFLUOROPROPYL)-S-TRIAZINE,000915-76-4,70185,"2,4,6-tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine",C1(=NC(=NC(=N1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33",KXQUYHRRCVECPV-UHFFFAOYSA-N,C12F21N3,585.11,584.9756884,6.8,38.7,675,0,0,24,6,36,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROMETRYN, PESTANAL",007287-19-6,4929,"6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)SC)NC(C)C,"InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",AAEVYOVXGOFMJO-UHFFFAOYSA-N,C10H19N5S,241.36,241.1361168,3.5,88,182,0,2,6,5,16,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIAZINE-2,4,6-TRIAMINE, PHOSPHATE",041583-09-9,92612,"phosphoric acid;1,3,5-triazine-2,4,6-triamine",C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)O,"InChI=1S/C3H6N6.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H3,1,2,3,4)",XFZRQAZGUOTJCS-UHFFFAOYSA-N,C3H9N6O4P,224.12,224.0422898,,194,113,0,6,10,0,14,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
MELAMINE,000108-78-1,7955,"1,3,5-triazine-2,4,6-triamine",C1(=NC(=NC(=N1)N)N)N,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV-UHFFFAOYSA-N,C3H6N6,126.12,126.0653942,-1.4,117,63,0,3,6,0,9,,"Sublimes (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
SIMAZINE,000122-34-9,5216,"6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)Cl)NCC,"InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)",ODCWYMIRDDJXKW-UHFFFAOYSA-N,C7H12ClN5,201.66,201.0781231,2.2,62.7,131,0,2,5,4,13,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPAZINE,000139-40-2,4937,"6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,"InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)",WJNRPILHGGKWCK-UHFFFAOYSA-N,C9H16ClN5,229.71,229.1094232,2.9,62.7,169,0,2,5,4,15,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodithioic acid, S-((4,6-diamino-s-triazin-2-yl)methyl) O,O-dimethyl ester",78-57-9,6543,"6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine",COP(=S)(OC)SCC1=NC(=NC(=N1)N)N,"InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)",SUYHYHLFUHHVJQ-UHFFFAOYSA-N,C6H12N5O2PS2,281.3,281.017004,0.5,167,253,0,2,9,5,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2,4-bis(ethylamino)-6-methoxy-",673-04-1,12654,"2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)OC)NCC,"InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)",HKAMKLBXTLTVCN-UHFFFAOYSA-N,C8H15N5O,197.24,197.1276601,1.8,72,143,0,2,6,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, 2-(isopropylamino)-4-((3-methoxypropyl)amino)-6-(methylthio)-",841-06-5,13290,"4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)NCCCOC)SC,"InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)",DDUIUBPJPOKOMV-UHFFFAOYSA-N,C11H21N5OS,271.39,271.1466815,2.8,97.3,220,0,2,7,8,18,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2-amino-4,6-dichloro-",933-20-0,13615,"4,6-dichloro-1,3,5-triazin-2-amine",C1(=NC(=NC(=N1)Cl)Cl)N,"InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)",MCLXKFUCPVGZEN-UHFFFAOYSA-N,C3H2Cl2N4,164.98,163.9656515,1.5,64.7,89,0,1,4,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-",1014-69-3,13904,"4-N-methyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)NC)SC,"InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)",HCRWJJJUKUVORR-UHFFFAOYSA-N,C8H15N5S,213.31,213.1048167,2.7,88,166,0,2,6,4,14,,339 °C at 98.4 kPa,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-methoxy-",1853-97-0,120588,"4-(chloromethyl)-6-methoxy-1,3,5-triazin-2-amine",COC1=NC(=NC(=N1)N)CCl,"InChI=1S/C5H7ClN4O/c1-11-5-9-3(2-6)8-4(7)10-5/h2H2,1H3,(H2,7,8,9,10)",UTSJRGNBQUPGPU-UHFFFAOYSA-N,C5H7ClN4O,174.59,174.0308386,0.4,73.9,125,0,1,5,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, 2-chloro-4-(diethylamino)-6-(ethylamino)-",1912-26-1,15951,"6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)Cl)N(CC)CC,"InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)",HFBWPRKWDIRYNX-UHFFFAOYSA-N,C9H16ClN5,229.71,229.1094232,3.3,53.9,176,0,1,5,5,15,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Melamine, N(sup 2),N(sup 2)-dimethyl-",1985-46-2,16134,"2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine",CN(C)C1=NC(=NC(=N1)N)N,"InChI=1S/C5H10N6/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3,(H4,6,7,8,9,10)",IEFWDQQGFDLKFK-UHFFFAOYSA-N,C5H10N6,154.17,154.0966943,0.4,94,116,0,2,6,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazine, 2,4-diamino-6-undecyl-",2533-34-8,75673,"6-undecyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCC1=NC(=NC(=N1)N)N,"InChI=1S/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12/h2-11H2,1H3,(H4,15,16,17,18,19)",MLCIKWISJBFZKS-UHFFFAOYSA-N,C14H27N5,265.4,265.2266459,4.8,90.7,202,0,2,5,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, 4,6-diamino-2-methoxy-",2827-45-4,17803,"6-methoxy-1,3,5-triazine-2,4-diamine",COC1=NC(=NC(=N1)N)N,"InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)",XVMFICQRQHBOOT-UHFFFAOYSA-N,C4H7N5O,141.13,141.0650599,-0.4,99.9,99,0,2,6,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Melamine, N(sup 2),N(sup 4),N(sup 6)-trimethyl-",2827-46-5,17804,"2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine",CNC1=NC(=NC(=N1)NC)NC,"InChI=1S/C6H12N6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,(H3,7,8,9,10,11,12)",LGEXGKUJMFHVSY-UHFFFAOYSA-N,C6H12N6,168.2,168.1123444,0.9,74.8,93,0,3,6,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazin-2-amine, 4-ethoxy-6-methyl-",3882-66-4,77490,"4-ethoxy-6-methyl-1,3,5-triazin-2-amine",CCOC1=NC(=NC(=N1)N)C,"InChI=1S/C6H10N4O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)",WBYRNUWFQADAPF-UHFFFAOYSA-N,C6H10N4O,154.17,154.085461,0.7,73.9,121,0,1,5,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, 2,4-bis(isopropylamino)-6-ethylthio-",4147-51-7,20105,"6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine",CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C,"InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)",NPWMZOGDXOFZIN-UHFFFAOYSA-N,C11H21N5S,255.39,255.1517669,3.9,88,194,0,2,6,6,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-",5248-39-5,160779,"4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine",CC1=NC(=NC(=N1)OC)NC,"InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)",MNDSUSQBIDHEJU-UHFFFAOYSA-N,C6H10N4O,154.17,154.085461,1,59.9,121,0,1,5,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3,5-Triazin-2-amine, 4-methoxy-6-(trifluoromethyl)-",5/7/11,199948,"4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine",COC1=NC(=NC(=N1)N)C(F)(F)F,"InChI=1S/C5H5F3N4O/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12)",DTVMLDILWYLGLA-UHFFFAOYSA-N,C5H5F3N4O,194.11,194.0415453,0.9,73.9,176,0,1,8,1,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"s-Triazine, 2,6-diamino-4-butylamino-",5606-24-6,197831,"2-N-butyl-1,3,5-triazine-2,4,6-triamine",CCCCNC1=NC(=NC(=N1)N)N,"InChI=1S/C7H14N6/c1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2-4H2,1H3,(H5,8,9,10,11,12,13)",CVKGSDYWCFQOKU-UHFFFAOYSA-N,C7H14N6,182.23,182.1279945,0.8,103,131,0,3,6,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"s-Triazine, 2,4,6-tris(methylthio)-",5759-58-0,21982,"2,4,6-tris(methylsulfanyl)-1,3,5-triazine",CSC1=NC(=NC(=N1)SC)SC,InChI=1S/C6H9N3S3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3,KMWQATAKCGOGFB-UHFFFAOYSA-N,C6H9N3S3,219.4,218.9958608,2.5,115,99,0,0,6,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2-((1,2-dimethylpropyl)amino)-4-ethylamino-6-methylthio-",22936-75-0,31573,"4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)SC)NC(C)C(C)C,"InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)",IKYICRRUVNIHPP-UHFFFAOYSA-N,C11H21N5S,255.39,255.1517669,3.9,88,214,0,2,6,6,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazine, 2-(sec-butylamino)-4-(ethylamino)-6-methoxy-",26259-45-0,33443,"2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCC(C)NC1=NC(=NC(=N1)NCC)OC,"InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)",ZJMZZNVGNSWOOM-UHFFFAOYSA-N,C10H19N5O,225.29,225.1589603,3.2,72,192,0,2,6,6,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazine, 2-tert-butylamino-4-ethylamino-6-methoxy-",33693-04-8,36584,"2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNC1=NC(=NC(=N1)OC)NC(C)(C)C,"InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",BCQMBFHBDZVHKU-UHFFFAOYSA-N,C10H19N5O,225.29,225.1589603,3.1,72,206,0,2,6,5,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-N-nitroso-",56525-09-8,108077,"N-[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-ethylnitrous amide",CCN(C1=NC(=NC(=N1)NC(C)C)Cl)N=O,"InChI=1S/C8H13ClN6O/c1-4-15(14-16)8-12-6(9)11-7(13-8)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13)",WQSMQGITEZLGKF-UHFFFAOYSA-N,C8H13ClN6O,244.68,244.0839368,2.6,83.4,229,0,1,7,4,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
COUMAPHOS,000056-72-4,2871,3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N,C14H16ClO5PS,362.8,362.0144595,4.5,86.1,499,0,0,6,6,22,"Not Applicable. Combustible solid. (USCG, 1999)","68 °F at 1e-07 mmHg (NTP, 1992)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
COUMARIN-3-CARBOXYLIC ACID,000531-81-7,10752,2-oxochromene-3-carboxylic acid,C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O,"InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)",ACMLKANOGIVEPB-UHFFFAOYSA-N,C10H6O4,190.15,190.0266087,2.2,63.6,305,0,1,4,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 6,7-dimethoxy-",000120-08-1,8417,"6,7-dimethoxychromen-2-one",COC1=C(C=C2C(=C1)C=CC(=O)O2)OC,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",GUAFOGOEJLSQBT-UHFFFAOYSA-N,C11H10O4,206.19,206.0579088,1.9,44.8,274,0,0,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
COUMARIN,000091-64-5,323,chromen-2-one,C1=CC=C2C(=C1)C=CC(=O)O2,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,1.4,26.3,196,0,0,2,0,11,"304 °F (NTP, 1992)","568 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-BROMOMETHYL-7-METHOXYCOUMARIN,035231-44-8,121894,4-(bromomethyl)-7-methoxychromen-2-one,COC1=CC2=C(C=C1)C(=CC(=O)O2)CBr,"InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3",CTENSLORRMFPDH-UHFFFAOYSA-N,C11H9BrO3,269.09,267.97351,2.4,35.5,288,0,0,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 450,026078-25-1,96929,"7-(ethylamino)-4,6-dimethylchromen-2-one",CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C,"InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3",QZXAEJGHNXJTSE-UHFFFAOYSA-N,C13H15NO2,217.26,217.1102787,2.5,38.3,311,0,1,3,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HALOXON,000321-55-1,9454,bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate,CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl)Cl,"InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3",KULDXINYXFTXMO-UHFFFAOYSA-N,C14H14Cl3O6P,415.6,413.959358,3.3,71.1,529,0,0,6,8,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHYLCOUMARIN,000092-48-8,7092,6-methylchromen-2-one,CC1=CC2=C(C=C1)OC(=O)C=C2,"InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3",FXFYOPQLGGEACP-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.8,26.3,220,0,0,2,0,12,"266 °F (NTP, 1992)","577 °F at 725 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"7,8-DIHYDROXY-6-METHOXY-2-BENZOPYRONE",000574-84-5,5273569,"7,8-dihydroxy-6-methoxychromen-2-one",COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",HAVWRBANWNTOJX-UHFFFAOYSA-N,C10H8O5,208.17,208.0371734,1.2,76,288,0,2,5,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-",001076-38-6,54682930,4-hydroxychromen-2-one,C1=CC=C2C(=C1)C(=CC(=O)O2)O,"InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H",VXIXUWQIVKSKSA-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.3,46.5,232,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 7-(DIETHYLAMINO)-2-OXO-, ETHYL ESTER",028705-46-6,120014,ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC,"InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3",MSOLGAJLRIINNF-UHFFFAOYSA-N,C16H19NO4,289.33,289.1314081,3.2,55.8,428,0,0,5,6,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
COUMARIN 460,000091-44-1,7050,7-(diethylamino)-4-methylchromen-2-one,CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C,"InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3",AFYCEAFSNDLKSX-UHFFFAOYSA-N,C14H17NO2,231.29,231.1259288,3.1,29.5,320,0,0,3,3,17,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-DIMETHYLAMINO-4-METHYLCOUMARIN,000087-01-4,6867,7-(dimethylamino)-4-methylchromen-2-one,CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C,"InChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3",GZEYLLPOQRZUDF-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.4,29.5,296,0,0,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
7-HYDROXY-4-METHYLCOUMARIN,000090-33-5,5280567,7-hydroxy-4-methylchromen-2-one,CC1=CC(=O)OC2=C1C=CC(=C2)O,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",HSHNITRMYYLLCV-UHFFFAOYSA-N,C10H8O3,176.17,176.0473441,1.9,46.5,257,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 120 AND 440,026093-31-2,92249,7-amino-4-methylchromen-2-one,CC1=CC(=O)OC2=C1C=CC(=C2)N,"InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3",GLNDAGDHSLMOKX-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.6,52.3,260,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 481,041934-47-8,94523,7-(diethylamino)-4-(trifluoromethyl)chromen-2-one,CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F,"InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3",UIMOXRDVWDLOHW-UHFFFAOYSA-N,C14H14F3NO2,285.26,285.0976632,3.6,29.5,402,0,0,6,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COUMARIN 445,028821-18-3,120061,7-(ethylamino)-4-methylchromen-2-one,CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C,"InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3",OTNIKUTWXUODJZ-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.6,38.3,285,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LD 466,020571-42-0,88598,7-(diethylamino)chromen-2-one,CCN(CC)C1=CC2=C(C=C1)C=CC(=O)O2,"InChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3",QXAMGWKESXGGNV-UHFFFAOYSA-N,C13H15NO2,217.26,217.1102787,2.8,29.5,284,0,0,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COUMARIN 151,053518-15-3,100641,7-amino-4-(trifluoromethyl)chromen-2-one,C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F,"InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2",JBNOVHJXQSHGRL-UHFFFAOYSA-N,C10H6F3NO2,229.15,229.0350629,2.1,52.3,337,0,1,6,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLUMBELLIFERYL ACETATE,002747-05-9,366,(4-methyl-2-oxochromen-7-yl) acetate,CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C,"InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3",HXVZGASCDAGAPS-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,2,52.6,345,0,0,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 152,053518-14-2,104522,7-(dimethylamino)-4-(trifluoromethyl)chromen-2-one,CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F,"InChI=1S/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3",KDTAEYOYAZPLIC-UHFFFAOYSA-N,C12H10F3NO2,257.21,257.0663631,2.9,29.5,376,0,0,6,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-METHOXYCOUMARIN-3-CARBOXYLIC ACID,020300-59-8,583941,7-methoxy-2-oxochromene-3-carboxylic acid,COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O,"InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)",VEEGNDSSWAOLFN-UHFFFAOYSA-N,C11H8O5,220.18,220.0371734,2.2,72.8,346,0,1,5,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN,064700-15-8,182439,2-(4-methyl-2-oxochromen-7-yl)oxyacetic acid,CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O,"InChI=1S/C12H10O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)",SGCOMUOACCXIKH-UHFFFAOYSA-N,C12H10O5,234.2,234.0528234,1.8,72.8,360,0,1,5,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SCOPOLETIN,000092-61-5,5280460,7-hydroxy-6-methoxychromen-2-one,COC1=C(C=C2C(=C1)C=CC(=O)O2)O,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",RODXRVNMMDRFIK-UHFFFAOYSA-N,C10H8O4,192.17,192.0422587,1.5,55.8,261,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ESCULETIN,000305-01-1,5281416,"6,7-dihydroxychromen-2-one",C1=CC(=O)OC2=CC(=C(C=C21)O)O,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",ILEDWLMCKZNDJK-UHFFFAOYSA-N,C9H6O4,178.14,178.0266087,1.2,66.8,248,0,2,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLUMBELLIFERYL PHOSPHATE,003368-04-5,65118,(4-methyl-2-oxochromen-7-yl) dihydrogen phosphate,CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O,"InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)",BCHIXGBGRHLSBE-UHFFFAOYSA-N,C10H9O6P,256.15,256.013675,0.6,93.1,398,0,2,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,7-DIHYDROXY-4-METHYLCOUMARIN",000529-84-0,5319502,"6,7-dihydroxy-4-methylchromen-2-one",CC1=CC(=O)OC2=CC(=C(C=C12)O)O,"InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3",KVOJTUXGYQVLAJ-UHFFFAOYSA-N,C10H8O4,192.17,192.0422587,1.5,66.8,284,0,2,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-HYDROXYCOUMARIN,000093-35-6,5281426,7-hydroxychromen-2-one,C1=CC(=CC2=C1C=CC(=O)O2)O,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",ORHBXUUXSCNDEV-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.6,46.5,222,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLUMBELLIFERYL PALMITATE,017695-48-6,87248,(4-methyl-2-oxochromen-7-yl) hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C,"InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3",QKQVFFACWLFRRX-UHFFFAOYSA-N,C26H38O4,414.6,414.2770097,9.3,52.6,539,0,0,4,16,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-DIETHYLAMINOCOUMARIN-3-CARBOHYDRAZIDE,100343-98-4,127564,7-(diethylamino)-2-oxochromene-3-carbohydrazide,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NN,"InChI=1S/C14H17N3O3/c1-3-17(4-2)10-6-5-9-7-11(13(18)16-15)14(19)20-12(9)8-10/h5-8H,3-4,15H2,1-2H3,(H,16,18)",LYBMHAINSFEHRL-UHFFFAOYSA-N,C14H17N3O3,275.3,275.1269914,2.1,84.7,418,0,2,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-2-BENZOPYRONE,001635-31-0,74217,3-aminochromen-2-one,C1=CC=C2C(=C1)C=C(C(=O)O2)N,"InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2",QWZHDKGQKYEBKK-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.4,52.3,235,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-ACETYL-7-HYDROXY-4-METHYLCOUMARIN,002555-29-5,5324648,8-acetyl-7-hydroxy-4-methylchromen-2-one,CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)O,"InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3",WZOMQVFUPMLOGT-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,1.7,63.6,358,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 5,7-DIHYDROXY-4-METHYL-",002107-76-8,5354284,"5,7-dihydroxy-4-methylchromen-2-one",CC1=CC(=O)OC2=CC(=CC(=C12)O)O,"InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3",QNVWGEJMXOQQPM-UHFFFAOYSA-N,C10H8O4,192.17,192.0422587,1.1,66.8,284,0,2,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 7-METHYL-",002445-83-2,17131,7-methylchromen-2-one,CC1=CC2=C(C=C1)C=CC(=O)O2,"InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3",DLHXRDUXNVEIEY-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.8,26.3,220,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 7-(ACETYLOXY)-4,8-DIMETHYL-6-(2-PROPENYL)-",003993-45-1,77611,"(4,8-dimethyl-2-oxo-6-prop-2-enylchromen-7-yl) acetate",CC1=CC(=O)OC2=C1C=C(C(=C2C)OC(=O)C)CC=C,"InChI=1S/C16H16O4/c1-5-6-12-8-13-9(2)7-14(18)20-16(13)10(3)15(12)19-11(4)17/h5,7-8H,1,6H2,2-4H3",WPXKHUHUPSKNMM-UHFFFAOYSA-N,C16H16O4,272.29,272.104859,3,52.6,451,0,0,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COUMARIN, 6-(2,3-DIBROMOPROPYL)-7-HYDROXY-4,8-DIMETHYL-, ACETATE",003993-46-2,107209,"[6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxochromen-7-yl] acetate",CC1=CC(=O)OC2=C1C=C(C(=C2C)OC(=O)C)CC(CBr)Br,"InChI=1S/C16H16Br2O4/c1-8-4-14(20)22-16-9(2)15(21-10(3)19)11(6-13(8)16)5-12(18)7-17/h4,6,12H,5,7H2,1-3H3",FCDMHZRMXOOYRQ-UHFFFAOYSA-N,C16H16Br2O4,432.1,431.93948,3.8,52.6,477,0,0,4,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-4,8-DIMETHYL-",004115-76-8,5356597,"7-hydroxy-4,8-dimethylchromen-2-one",CC1=CC(=O)OC2=C1C=CC(=C2C)O,"InChI=1S/C11H10O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5,12H,1-2H3",MVMMGVPSTRNMSV-UHFFFAOYSA-N,C11H10O3,190.19,190.0629942,1.8,46.5,282,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 3-CHLORO-7-HYDROXY-4-METHYL-",006174-86-3,5355079,3-chloro-7-hydroxy-4-methylchromen-2-one,CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl,"InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3",ODZHLDRQCZXQFQ-UHFFFAOYSA-N,C10H7ClO3,210.61,210.0083718,2.3,46.5,298,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 3-ACETYL-7-(DIETHYLAMINO)-",074696-96-1,688763,3-acetyl-7-(diethylamino)chromen-2-one,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C,"InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3",JQYDECSZBZCKFQ-UHFFFAOYSA-N,C15H17NO3,259.3,259.1208434,2.7,46.6,398,0,0,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMCA (7-AMINO-4-METHYL-COUMARIN-3-ACETIC ACID),106562-32-7,129367,2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid,CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)O,"InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)",QEQDLKUMPUDNPG-UHFFFAOYSA-N,C12H11NO4,233.22,233.0688078,0.6,89.6,388,0,2,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate",299-45-6,10496498,7-diethoxyphosphinothioyloxy-4-methylchromen-2-one,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C,"InChI=1S/C14H17O5PS/c1-4-16-20(21,17-5-2)19-11-6-7-12-10(3)8-14(15)18-13(12)9-11/h6-9H,4-5H2,1-3H3",KNIUHBNRWZGIQQ-UHFFFAOYSA-N,C14H17O5PS,328.32,328.0534318,4.1,86.1,454,0,0,6,6,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 7,8-dihydroxy-",486-35-1,5280569,"7,8-dihydroxychromen-2-one",C1=CC(=C(C2=C1C=CC(=O)O2)O)O,"InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H",ATEFPOUAMCWAQS-UHFFFAOYSA-N,C9H6O4,178.14,178.0266087,1.2,66.8,248,0,2,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Coumarin, 5,7-dimethoxy-",487-06-9,2775,"5,7-dimethoxychromen-2-one",COC1=CC2=C(C=CC(=O)O2)C(=C1)OC,"InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3",NXJCRELRQHZBQA-UHFFFAOYSA-N,C11H10O4,206.19,206.0579088,1.9,44.8,274,0,0,4,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Coumarin, 4-methyl-",607-71-6,11833,4-methylchromen-2-one,CC1=CC(=O)OC2=CC=CC=C12,"InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3",PSGQCCSGKGJLRL-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.3,26.3,230,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((3-(2-(diethylamino)ethyl)-4-methyl-2-oxo)-2H-1-benzopyran-7-yl)oxy-,ethyl ester, hydrochloride",655-35-6,9800972,ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate;hydrochloride,CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.Cl,"InChI=1S/C20H27NO5.ClH/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3;/h8-9,12H,5-7,10-11,13H2,1-4H3;1H",KSQIAZKOUOEHSA-UHFFFAOYSA-N,C20H28ClNO5,397.9,397.1656007,,65.1,526,0,1,6,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 6-acetamido-",833-68-1,13262,N-(2-oxochromen-6-yl)acetamide,CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2,"InChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)",UCNNBCBFCASUHR-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,0.6,55.4,311,0,1,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 7-hydroxy-4-methyl-, diethylphosphate",897-83-6,13477,diethyl (4-methyl-2-oxochromen-7-yl) phosphate,CCOP(=O)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C,"InChI=1S/C14H17O6P/c1-4-17-21(16,18-5-2)20-11-6-7-12-10(3)8-14(15)19-13(12)9-11/h6-9H,4-5H2,1-3H3",GHGRYKAFUNNHBG-UHFFFAOYSA-N,C14H17O6P,312.25,312.0762753,2.4,71.1,450,0,0,6,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 3-hydroxy-",939-19-5,13650,3-hydroxychromen-2-one,C1=CC=C2C(=C1)C=C(C(=O)O2)O,"InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",MJKVTPMWOKAVMS-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.8,46.5,232,0,1,3,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester",1846-76-0,15800,ethyl 2-oxochromene-3-carboxylate,CCOC(=O)C1=CC2=CC=CC=C2OC1=O,"InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3",XKHPEMKBJGUYCM-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,2.3,52.6,332,0,0,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Coumarin, 7,8-dihydroxy-4-methyl-",2107-77-9,5355836,"7,8-dihydroxy-4-methylchromen-2-one",CC1=CC(=O)OC2=C1C=CC(=C2O)O,"InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3",NWQBYMPNIJXFNQ-UHFFFAOYSA-N,C10H8O4,192.17,192.0422587,1.1,66.8,284,0,2,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"2H-1-Benzopyran-3-carbonitrile, 2-oxo-",15119-34-3,203763,2-oxochromene-3-carbonitrile,C1=CC=C2C(=C1)C=C(C(=O)O2)C#N,InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,QKJALQPLNMEDAV-UHFFFAOYSA-N,C10H5NO2,171.15,171.0320284,1.8,50.1,310,0,0,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 4,5,7-trihydroxy-",17575-26-7,54676761,"4,5,7-trihydroxychromen-2-one",C1=C(C=C2C(=C1O)C(=CC(=O)O2)O)O,"InChI=1S/C9H6O5/c10-4-1-5(11)9-6(12)3-8(13)14-7(9)2-4/h1-3,10-12H",HPNWGYCBCHLEMW-UHFFFAOYSA-N,C9H6O5,194.14,194.0215233,1.1,87,285,0,3,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 7-hydroxy-4-propyl-",19225-02-6,5322246,7-hydroxy-4-propylchromen-2-one,CCCC1=CC(=O)OC2=C1C=CC(=C2)O,"InChI=1S/C12H12O3/c1-2-3-8-6-12(14)15-11-7-9(13)4-5-10(8)11/h4-7,13H,2-3H2,1H3",GQJVOVBBBZRUBH-UHFFFAOYSA-N,C12H12O3,204.22,204.0786442,2.9,46.5,283,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 4-amino-3-nitro-",38464-21-0,38044,4-amino-3-nitrochromen-2-one,C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])N,"InChI=1S/C9H6N2O4/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H,10H2",FXAVOHDJSAUTTG-UHFFFAOYSA-N,C9H6N2O4,206.15,206.0327567,1.5,98.1,345,0,1,5,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-2-one, 4-amino-",53348-92-8,820807,4-aminochromen-2-one,C1=CC=C2C(=C1)C(=CC(=O)O2)N,"InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2",AHZAKFLOHIRCDU-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.9,52.3,235,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Coumarin, 6-amino-, hydrochloride",63989-79-7,356789,6-aminochromen-2-one;hydrochloride,C1=CC2=C(C=CC(=O)O2)C=C1N.Cl,"InChI=1S/C9H7NO2.ClH/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h1-5H,10H2;1H",OSIGAIXSSYAHEG-UHFFFAOYSA-N,C9H8ClNO2,197.62,197.0243562,,52.3,225,0,2,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((8-chloro-3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)-,ethyl ester",68206-94-0,68876,ethyl 2-[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate,CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC)Cl)OC1=O)C,"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3",GYNNRVJJLAVVTQ-UHFFFAOYSA-N,C20H26ClNO5,395.9,395.1499506,3.8,65.1,561,0,0,6,10,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 6-hydroxy-4-methyl-",,75409,6-hydroxy-4-methylchromen-2-one,CC1=CC(=O)OC2=C1C=C(C=C2)O,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3",IRUHWRSITUYICV-UHFFFAOYSA-N,C10H8O3,176.17,176.0473441,1.9,46.5,257,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-CHLORO-1,3-DIMETHYLPYRAZOLE",054454-10-3,521507,"5-chloro-1,3-dimethylpyrazole",CC1=NN(C(=C1)Cl)C,"InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3",DDUSLFAWARYAPR-UHFFFAOYSA-N,C5H7ClN2,130.57,130.0297759,1.6,17.8,86,0,0,1,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYLMETHYL-PYRAZOLYL DIMETHYLCARBAMATE,000119-38-0,8393,"(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate",CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,"InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3",RNNBHZYEKNHLKT-UHFFFAOYSA-N,C10H17N3O2,211.26,211.1320768,1.4,47.4,231,0,0,3,3,15,,"217 °F at 0.7 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIMETILAN,000644-64-4,12572,"[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate",CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C,"InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3",RDBIYWSVMRVKSG-UHFFFAOYSA-N,C10H16N4O3,240.26,240.1222404,0.6,67.7,306,0,0,4,2,17,,"392 to 410 °F at 13 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINO-1H-PYRAZOLE-4-CARBONITRILE,016617-46-2,85515,5-amino-1H-pyrazole-4-carbonitrile,C1=NNC(=C1C#N)N,"InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)",FFNKBQRKZRMYCL-UHFFFAOYSA-N,C4H4N4,108.1,108.0435961,0.1,78.5,123,0,2,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRAZOLE,000288-13-1,1048,1H-pyrazole,C1=CNN=C1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",WTKZEGDFNFYCGP-UHFFFAOYSA-N,C3H4N2,68.08,68.03744814,0.3,28.7,28,0,1,1,0,5,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
3-METHYLPYRAZOLE,001453-58-3,15073,5-methyl-1H-pyrazole,CC1=CC=NN1,"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",XKVUYEYANWFIJX-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,0.6,28.7,44,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"3,5-DIMETHYLPYRAZOLE",000067-51-6,6210,"3,5-dimethyl-1H-pyrazole",CC1=CC(=NN1)C,"InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)",SDXAWLJRERMRKF-UHFFFAOYSA-N,C5H8N2,96.13,96.06874826,1,28.7,63,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
4-AMINOPYRAZOLE,028466-26-4,78035,1H-pyrazol-4-amine,C1=C(C=NN1)N,"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)",AXINVSXSGNSVLV-UHFFFAOYSA-N,C3H5N3,83.09,83.04834717,-1.1,54.7,45,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-IODO-1H-PYRAZOLE,003469-69-0,77022,4-iodo-1H-pyrazole,C1=C(C=NN1)I,"InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)",LLNQWPTUJJYTTE-UHFFFAOYSA-N,C3H3IN2,193.97,193.9341,1.7,28.7,48,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-PYRAZOLE-1-CARBOXAMIDINE HYDROCHLORIDE,004023-02-3,2734672,pyrazole-1-carboximidamide;hydrochloride,C1=CN(N=C1)C(=N)N.Cl,"InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H",RBZRMBCLZMEYEH-UHFFFAOYSA-N,C4H7ClN4,146.58,146.0359239,,67.7,100,0,3,2,1,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"3,5-DIMETHYLPYRAZOLE-1-CARBOXAMIDINE NITRATE",038184-47-3,198186,"3,5-dimethylpyrazole-1-carboximidamide;nitric acid",CC1=CC(=NN1C(=N)N)C.[N+](=O)(O)[O-],"InChI=1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)",AGYXIUAGBLMBGV-UHFFFAOYSA-N,C6H11N5O3,201.18,201.0861892,,134,169,0,3,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-BIS-BOC-1-GUANYLPYRAZOLE",152120-54-2,4428040,tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate,CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1,"InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)",QFNFDHNZVTWZED-UHFFFAOYSA-N,C14H22N4O4,310.35,310.1641052,3.1,94.8,449,0,1,5,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1-METHYL-1H-PYRAZOL-5-YL)METHANOL,084547-61-5,11815316,(2-methylpyrazol-3-yl)methanol,CN1C(=CC=N1)CO,"InChI=1S/C5H8N2O/c1-7-5(4-8)2-3-6-7/h2-3,8H,4H2,1H3",WQFOGLYQVFBDEY-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,-0.6,38.1,76,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-PYRAZOLE-1-(N-METHYLCARBOXAMIDINE) HYDROCHLORIDE,194852-88-5,10953493,N'-methylpyrazole-1-carboximidamide,CN=C(N)N1C=CC=N1,"InChI=1S/C5H8N4/c1-7-5(6)9-4-2-3-8-9/h2-4H,1H3,(H2,6,7)",QQYNNHMXMDLMHU-UHFFFAOYSA-N,C5H8N4,124.14,124.0748963,-0.3,56.2,120,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-4-[(4-SULFO",071077-14-0,574310,1H-pyrazole-5-carboxylic acid,C1=C(NN=C1)C(=O)O,"InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)",KOPFEFZSAMLEHK-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,0.1,66,104,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, diethyl 5(or 3)-methylpyrazole-3(or 5)-yl ester",108-34-9,7925,diethyl (5-methyl-1H-pyrazol-3-yl) phosphate,CCOP(=O)(OCC)OC1=NNC(=C1)C,"InChI=1S/C8H15N2O4P/c1-4-12-15(11,13-5-2)14-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)",CDCTYRNLXFEDHC-UHFFFAOYSA-N,C8H15N2O4P,234.19,234.076944,1.1,73.4,229,0,1,5,6,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 3-(2-aminoethyl)-, dihydrochloride",138-92-1,67412,2-(1H-pyrazol-5-yl)ethanamine;dihydrochloride,C1=C(NN=C1)CCN.Cl.Cl,"InChI=1S/C5H9N3.2ClH/c6-3-1-5-2-4-7-8-5;;/h2,4H,1,3,6H2,(H,7,8);2*1H",BUXCUOWXTOKEMQ-UHFFFAOYSA-N,C5H11Cl2N3,184.06,183.0330028,,54.7,64,0,4,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole-3-carboxylic acid, 5-methyl-",402-61-9,9822,5-methyl-1H-pyrazole-3-carboxylic acid,CC1=CC(=NN1)C(=O)O,"InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)",WSMQKESQZFQMFW-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,0.5,66,126,0,2,3,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamide, N-(3-methyl-1-pyrazolyl)-",873-50-7,13392,N-(3-methylpyrazol-1-yl)formamide,CC1=NN(C=C1)NC=O,"InChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9)",AJDAWQUQDDHYHH-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,0.3,46.9,106,0,1,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 5-amino-1-isopropyl-3-methyl-",1124-16-9,121018,5-methyl-2-propan-2-ylpyrazol-3-amine,CC1=NN(C(=C1)N)C(C)C,"InChI=1S/C7H13N3/c1-5(2)10-7(8)4-6(3)9-10/h4-5H,8H2,1-3H3",OCSWHADWFJTNAZ-UHFFFAOYSA-N,C7H13N3,139.2,139.1109474,1,43.8,113,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 3,5-dimethyl-4-iodo-",2033-45-6,97115,"4-iodo-3,5-dimethyl-1H-pyrazole",CC1=C(C(=NN1)C)I,"InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)",MZZXIXHKDJNBJQ-UHFFFAOYSA-N,C5H7IN2,222.03,221.9654,1.7,28.7,86,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-bromo-",2075-45-8,16375,4-bromo-1H-pyrazole,C1=C(C=NN1)Br,"InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)",WVGCPEDBFHEHEZ-UHFFFAOYSA-N,C3H3BrN2,146.97,145.94796,0.3,28.7,48,0,1,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-nitro-",2075-46-9,16376,4-nitro-1H-pyrazole,C1=C(C=NN1)[N+](=O)[O-],"InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)",XORHNJQEWQGXCN-UHFFFAOYSA-N,C3H3N3O2,113.08,113.0225263,0.6,74.5,99,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-bromo-3,5-dimethyl-",3398-16-1,76937,"4-bromo-3,5-dimethyl-1H-pyrazole",CC1=C(C(=NN1)C)Br,"InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)",RISOHYOEPYWKOB-UHFFFAOYSA-N,C5H7BrN2,175.03,173.97926,1.7,28.7,86,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 1-methyl-4-nitro-",3994-50-1,19895,1-methyl-4-nitropyrazole,CN1C=C(C=N1)[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3",CZVJIVYLYOVBRP-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.1,63.6,121,0,0,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Pyrazol-4-ol,4843-98-5,119218,1H-pyrazol-4-ol,C1=C(C=NN1)O,"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)",KAUABWYBFARJAF-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-0.8,48.9,48,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-amino-3,5-dimethyl-",5272-86-6,78931,"3,5-dimethyl-1H-pyrazol-4-amine",CC1=C(C(=NN1)C)N,"InChI=1S/C5H9N3/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3,(H,7,8)",LNVWRBNPXCUYJI-UHFFFAOYSA-N,C5H9N3,111.15,111.0796473,0.3,54.7,83,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole, 3-methyl-4-nitro-",5334-39-4,79255,5-methyl-4-nitro-1H-pyrazole,CC1=C(C=NN1)[N+](=O)[O-],"InChI=1S/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6)",WTZYTQJELOHMMJ-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.4,74.5,121,0,1,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 3,4-dibromo-",5932-18-3,22216,"4,5-dibromo-1H-pyrazole",C1=NNC(=C1Br)Br,"InChI=1S/C3H2Br2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)",DFUAIALZXKLUQU-UHFFFAOYSA-N,C3H2Br2N2,225.87,225.85642,1.9,28.7,68,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole, 3-chloro-5-methyl-4-nitro-",6814-58-0,23256,3-chloro-5-methyl-4-nitro-1H-pyrazole,CC1=C(C(=NN1)Cl)[N+](=O)[O-],"InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)",ZCHRCALASPNJEQ-UHFFFAOYSA-N,C4H4ClN3O2,161.55,160.9992041,1.4,74.5,148,0,1,3,0,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 3-propyl-",7231-31-4,201990,5-propyl-1H-pyrazole,CCCC1=CC=NN1,"InChI=1S/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)",QBNRQCHCKIIYGV-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,1.4,28.7,63,0,1,1,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-methyl-",7554-65-6,3406,4-methyl-1H-pyrazole,CC1=CNN=C1,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",RIKMMFOAQPJVMX-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,1.4,28.7,44,0,1,1,0,6,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 1-allyl-3,5-dimethyl-",13369-74-9,25930,"3,5-dimethyl-1-prop-2-enylpyrazole",CC1=CC(=NN1CC=C)C,"InChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3",NXAGTQRRYZTDKV-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.8,17.8,122,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 3,5-dimethyl-4-nitro-",14531-55-6,146172,"3,5-dimethyl-4-nitro-1H-pyrazole",CC1=C(C(=NN1)C)[N+](=O)[O-],"InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7)",OFQCJVVJRNPSET-UHFFFAOYSA-N,C5H7N3O2,141.13,141.0538265,0.8,74.5,144,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-chloro-",15878-00-9,27524,4-chloro-1H-pyrazole,C1=C(C=NN1)Cl,"InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)",BADSZRMNXWLUKO-UHFFFAOYSA-N,C3H3ClN2,102.52,101.9984758,0.2,28.7,48,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Pyrazole, 4-chloro-3-methyl-",15878-08-7,204169,4-chloro-5-methyl-1H-pyrazole,CC1=C(C=NN1)Cl,"InChI=1S/C4H5ClN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)",LCDKUXJKMAFCTI-UHFFFAOYSA-N,C4H5ClN2,116.55,116.0141259,1.2,28.7,66,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-amino-1,3,5-trimethyl-",28466-21-9,161603,"1,3,5-trimethylpyrazol-4-amine",CC1=C(C(=NN1C)C)N,"InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3",SSDGMKHZMNTWLS-UHFFFAOYSA-N,C6H11N3,125.17,125.0952974,0.4,43.8,104,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazol-3-methanol, 5-methyl-",29004-73-7,730093,(5-methyl-1H-pyrazol-3-yl)methanol,CC1=CC(=NN1)CO,"InChI=1S/C5H8N2O/c1-4-2-5(3-8)7-6-4/h2,8H,3H2,1H3,(H,6,7)",SYDSMFCVIJNHEN-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,-0.2,48.9,76,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrazolecarboxylic acid, 3,5-dimethyl-, ethyl ester",35691-93-1,215436,"ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate",CCOC(=O)C1=C(NN=C1C)C,"InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)",BCKARVLFIJPHQU-UHFFFAOYSA-N,C8H12N2O2,168.19,168.0898776,1.2,55,172,0,1,3,3,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole-1-carboxamidine, 3,5-dimethyl-, monohydrochloride",40027-64-3,218002,"3,5-dimethylpyrazole-1-carboximidamide;hydrochloride",CC1=CC(=NN1C(=N)N)C.Cl,"InChI=1S/C6H10N4.ClH/c1-4-3-5(2)10(9-4)6(7)8;/h3H,1-2H3,(H3,7,8);1H",UOLOESWKXGHYCY-UHFFFAOYSA-N,C6H11ClN4,174.63,174.0672241,,67.7,145,0,3,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrazolecarboxylic acid, 3-amino-",41680-34-6,96774,5-amino-1H-pyrazole-4-carboxylic acid,C1=NNC(=C1C(=O)O)N,"InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)",KMRVTZLKQPFHFS-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.1,92,127,0,3,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-carboxylic acid, 5-(3-(cyanomethyl)-5-methyl-4H-1,2,4-triazol-4-yl)-1-phenyl-",51649-73-1,3015937,1H-pyrazole-4-carboxylic acid,C1=C(C=NN1)C(=O)O,"InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)",IMBBXSASDSZJSX-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-0.3,66,104,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-",54711-21-6,95185,3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile,C(C#N)C1=C(C(=NN1)N)C#N,"InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)",GSXISOIYTHIBLC-UHFFFAOYSA-N,C6H5N5,147.14,147.0544952,-0.2,102,230,0,2,4,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-methanol, 3,5-dimethyl-",85264-33-1,96393,"(3,5-dimethylpyrazol-1-yl)methanol",CC1=CC(=NN1CO)C,"InChI=1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3",OBENDWOJIFFDLZ-UHFFFAOYSA-N,C6H10N2O,126.16,126.0793129,0.4,38.1,97,0,1,2,1,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Pyrazole-1-butyric acid,110525-56-9,3066548,4-pyrazol-1-ylbutanoic acid,C1=CN(N=C1)CCCC(=O)O,"InChI=1S/C7H10N2O2/c10-7(11)3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2,(H,10,11)",PQTCGHYOOHMITR-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,0,55.1,138,0,1,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-carboxamide, N-butyl-1,3-diphenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-",134619-53-7,17854756,1H-pyrazole-4-carboxamide,C1=C(C=NN1)C(=O)N,"InChI=1S/C4H5N3O/c5-4(8)3-1-6-7-2-3/h1-2H,(H2,5,8)(H,6,7)",ZVXKYWHJBYIYNI-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-0.9,71.8,103,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1)",155601-30-2,11673148,"2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid",C1=NN(C(=C1N)N)CCO.OS(=O)(=O)O,"InChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)",IBCDZZHMNXXYAP-UHFFFAOYSA-N,C5H12N4O5S,240.24,240.0528407,,173,191,0,5,8,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Pyrazol-5-amine, 1-phenyl-4-(2-thienyl)-",165404-09-1,74561,1H-pyrazol-5-amine,C1=C(NN=C1)N,"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",JVVRJMXHNUAPHW-UHFFFAOYSA-N,C3H5N3,83.09,83.04834717,-0.1,54.7,45,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Pyrazole-1-acetamide, 3,5-dimethyl-N-(2-methylphenyl)-",173381-90-3,14028978,2-pyrazol-1-ylacetamide,C1=CN(N=C1)CC(=O)N,"InChI=1S/C5H7N3O/c6-5(9)4-8-3-1-2-7-8/h1-3H,4H2,(H2,6,9)",PTGHHGHHFPDNBR-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,-0.7,60.9,115,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-",178880-04-1,3075398,5-sulfamoyl-1H-pyrazole-4-carboxylic acid,C1=NNC(=C1C(=O)O)S(=O)(=O)N,"InChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11)",FTYKACFNSGUTDJ-UHFFFAOYSA-N,C4H5N3O4S,191.17,191.0000768,-1.4,135,281,0,3,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-3-carboxamide, N-(2-(acetylamino)ethyl)-5-(4-methylphenyl)-",181427-24-7,15239624,1H-pyrazole-5-carboxamide,C1=C(NN=C1)C(=O)N,"InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)",BNYCHCAYYYRJSH-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-0.6,71.8,103,0,2,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-methanol, alpha-(3-(dimethylamino)propyl)-1-phenyl-",296269-45-9,3015210,1H-pyrazol-4-ylmethanol,C1=C(C=NN1)CO,"InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)",JRMKJOOJKCAEJK-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,0.2,48.9,57,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-acetic acid, 4-bromo-5-methyl-3-nitro-",,3717462,2-pyrazol-1-ylacetic acid,C1=CN(N=C1)CC(=O)O,"InChI=1S/C5H6N2O2/c8-5(9)4-7-3-1-2-6-7/h1-3H,4H2,(H,8,9)",LOSKNFQZTWYZHI-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.1,55.1,116,0,1,3,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-acetic acid, 5-methyl-3-nitro-",,1230023,2-(5-methyl-3-nitropyrazol-1-yl)acetic acid,CC1=CC(=NN1CC(=O)O)[N+](=O)[O-],"InChI=1S/C6H7N3O4/c1-4-2-5(9(12)13)7-8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)",LBYOSHLKRWXEKE-UHFFFAOYSA-N,C6H7N3O4,185.14,185.0436557,0.5,101,226,0,1,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-acetic acid, 4-nitro-",,1283477,2-(4-nitropyrazol-1-yl)acetic acid,C1=C(C=NN1CC(=O)O)[N+](=O)[O-],"InChI=1S/C5H5N3O4/c9-5(10)3-7-2-4(1-6-7)8(11)12/h1-2H,3H2,(H,9,10)",KUJDGSFHKVQDQL-UHFFFAOYSA-N,C5H5N3O4,171.11,171.0280057,-0.2,101,201,0,1,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-amino-3,5-dimethyl-1-isopropyl-",,3031275,"3,5-dimethyl-1-propan-2-ylpyrazol-4-amine",CC1=C(C(=NN1C(C)C)C)N,"InChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3",YWDXPQXEGATNSX-UHFFFAOYSA-N,C8H15N3,153.22,153.1265975,1.1,43.8,135,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-5-carboxylic acid, 4-chloro-3-nitro-",,135420632,4-chloro-5-nitro-1H-pyrazole-3-carboxylic acid,C1(=C(NN=C1C(=O)O)[N+](=O)[O-])Cl,"InChI=1S/C4H2ClN3O4/c5-1-2(4(9)10)6-7-3(1)8(11)12/h(H,6,7)(H,9,10)",OJDWLECIBCYADG-UHFFFAOYSA-N,C4H2ClN3O4,191.53,190.9733832,0.9,112,217,0,2,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ACETYLAMINOFLUORENE,000053-96-3,5897,N-(9H-fluoren-2-yl)acetamide,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,"InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)",CZIHNRWJTSTCEX-UHFFFAOYSA-N,C15H13NO,223.27,223.099714,3.3,29.1,301,0,1,1,1,17,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
9H-FLUOREN-9-YLMETHYL CHLOROFORMATE,028920-43-6,34367,9H-fluoren-9-ylmethyl carbonochloridate,C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl,"InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2",IRXSLJNXXZKURP-UHFFFAOYSA-N,C15H11ClO2,258.7,258.0447573,4.3,26.3,296,0,0,2,3,18,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-METHYLFLUORENE,001730-37-6,15604,1-methyl-9H-fluorene,CC1=C2CC3=CC=CC=C3C2=CC=C1,"InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3",GKEUODMJRFDLJY-UHFFFAOYSA-N,C14H12,180.24,180.0939004,5,0,208,0,0,0,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-FMOC-L-METHIONINE,071989-28-1,2724632,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid,CSCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1",BUBGAUHBELNDEW-SFHVURJKSA-N,C20H21NO4S,371.5,371.1191293,3.7,101,478,0,2,5,8,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-AMINOFLUORENE HYDROCHLORIDE,005978-75-6,2724685,9H-fluoren-9-amine;hydrochloride,C1=CC=C2C(=C1)C(C3=CC=CC=C32)N.Cl,"InChI=1S/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H",SYKJOJSYQSVNOM-UHFFFAOYSA-N,C13H12ClN,217.69,217.0658271,,26,191,0,2,1,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOFLUORENE,000153-78-6,1539,9H-fluoren-2-amine,C1C2=CC=CC=C2C3=C1C=C(C=C3)N,"InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2",CFRFHWQYWJMEJN-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.1,26,213,0,1,1,0,14,,,0,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
9-FLUORENYLMETHANOL,024324-17-2,90466,9H-fluoren-9-ylmethanol,C1=CC=C2C(=C1)C(C3=CC=CC=C32)CO,"InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2",XXSCONYSQQLHTH-UHFFFAOYSA-N,C14H12O,196.24,196.088815,2.7,20.2,203,0,1,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ACETYLFLUORENE,000781-73-7,69908,1-(9H-fluoren-2-yl)ethanone,CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2,"InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3",IBASEVZORZFIIH-UHFFFAOYSA-N,C15H12O,208.25,208.088815,3.5,17.1,283,0,0,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-HYDROXYFLUORENE,001689-64-1,74318,9H-fluoren-9-ol,C1=CC=C2C(=C1)C(C3=CC=CC=C32)O,"InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H",AFMVESZOYKHDBJ-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,2.4,20.2,191,0,1,1,0,14,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
N-FMOC-S-T-BUTYL-L-CYSTEINE,067436-13-9,100111,3-tert-butylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,CC(C)(C)SCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)",IXAYZHCPEYTWHW-UHFFFAOYSA-N,C22H25NO4S,399.5,399.1504295,4.3,101,539,0,2,5,8,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ALPHA-FMOC-L-ASPARTIC ACID BETA-T-BUTYL ESTER,071989-14-5,3085669,2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid,CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)",FODJWPHPWBKDON-UHFFFAOYSA-N,C23H25NO6,411.4,411.1681875,3.5,102,620,0,2,6,9,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-((9H-FLUOREN-9-YLMETHOXY)CARBONYL)-L-VALINE,068858-20-8,688217,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid,CC(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1",UGNIYGNGCNXHTR-SFHVURJKSA-N,C20H21NO4,339.4,339.1470582,4,75.6,470,0,2,4,6,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-GLY-OH,029022-11-5,93124,2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid,C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(=O)O,"InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)",NDKDFTQNXLHCGO-UHFFFAOYSA-N,C17H15NO4,297.3,297.100108,2.7,75.6,403,0,2,4,5,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-LYS(BOC)-OH,071989-26-9,100113,2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)",UMRUUWFGLGNQLI-UHFFFAOYSA-N,C26H32N2O6,468.5,468.2260367,4.5,114,684,0,3,6,12,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-ORN(BOC)-OH,109425-55-0,2756114,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C25H30N2O6/c1-25(2,3)33-23(30)26-14-8-13-21(22(28)29)27-24(31)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m0/s1",JOOIZTMAHNLNHE-NRFANRHFSA-N,C25H30N2O6,454.5,454.2103867,4.1,114,669,0,3,6,11,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-L-LEU-OH,035661-60-0,1549133,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid,CC(C)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1",CBPJQFCAFFNICX-IBGZPJMESA-N,C21H23NO4,353.4,353.1627082,4.4,75.6,484,0,2,4,7,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-GLU(OBUT)-OH,071989-18-9,3085670,4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid,CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)20(12-13-21(26)27)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,27)",GOPWHXPXSPIIQZ-UHFFFAOYSA-N,C24H27NO6,425.5,425.1838376,3.9,102,635,0,2,6,10,31,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-ALA-OH-H20,035661-39-3,6364642,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1",QWXZOFZKSQXPDC-NSHDSACASA-N,C18H17NO4,311.3,311.115758,3.1,75.6,430,0,2,4,5,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-SER(BUT)-OH,071989-33-8,3085671,2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid,CC(C)(C)OCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)",REITVGIIZHFVGU-UHFFFAOYSA-N,C22H25NO5,383.4,383.1732729,3.5,84.9,536,0,2,5,8,28,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
9-BROMOFLUORENE,001940-57-4,16024,9-bromo-9H-fluorene,C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br,"InChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H",AHCDKANCCBEQJJ-UHFFFAOYSA-N,C13H9Br,245.11,243.98876,3.9,0,191,0,0,0,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-DIAMINOFLUORENE",000525-64-4,10679,"9H-fluorene-2,7-diamine",C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N,"InChI=1S/C13H12N2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,14-15H2",SNCJAJRILVFXAE-UHFFFAOYSA-N,C13H12N2,196.25,196.1000484,2.6,52,217,0,2,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-DIBROMOFLUORENE",016433-88-8,140073,"2,7-dibromo-9H-fluorene",C1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br,"InChI=1S/C13H8Br2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2",AVXFJPFSWLMKSG-UHFFFAOYSA-N,C13H8Br2,324.01,323.89723,5.1,0,217,0,0,0,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLFLUORENE,001430-97-3,15026,2-methyl-9H-fluorene,CC1=CC2=C(C=C1)C3=CC=CC=C3C2,"InChI=1S/C14H12/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h2-8H,9H2,1H3",RKJHJMAZNPASHY-UHFFFAOYSA-N,C14H12,180.24,180.0939004,4.5,0,208,0,0,0,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-7-NITROFLUORENE,001806-25-3,15729,2-fluoro-7-nitro-9H-fluorene,C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)F,"InChI=1S/C13H8FNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2",ZGVSZORIRFNOCF-UHFFFAOYSA-N,C13H8FNO2,229.21,229.0539067,3.6,45.8,317,0,0,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYFLUORENE,006344-67-8,96088,9H-fluoren-3-ol,C1C2=C(C=C(C=C2)O)C3=CC=CC=C31,"InChI=1S/C13H10O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8,14H,7H2",PVUBSZGNXLNTLX-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.5,20.2,213,0,1,1,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENECARBOXYLIC ACID,001989-33-9,74809,9H-fluorene-9-carboxylic acid,C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O,"InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)",DNVJGJUGFFYUPT-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,2.5,37.3,264,0,1,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENYLMETHYL CARBAZATE,035661-51-9,161883,9H-fluoren-9-ylmethyl N-aminocarbamate,C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NN,"InChI=1S/C15H14N2O2/c16-17-15(18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9,16H2,(H,17,18)",YGCGPEUVGHDMLO-UHFFFAOYSA-N,C15H14N2O2,254.28,254.1055277,2.3,64.4,312,0,2,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOFLUORENE,001133-80-8,14336,2-bromo-9H-fluorene,C1C2=CC=CC=C2C3=C1C=C(C=C3)Br,"InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2",FXSCJZNMWILAJO-UHFFFAOYSA-N,C13H9Br,245.11,243.98876,4.5,0,213,0,0,0,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NA-FMOC-NE-ALLYLOXYCARBONYL L-LYSINE,146982-27-6,11123257,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid,C=CCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m0/s1",OJBNDXHENJDCBA-QFIPXVFZSA-N,C25H28N2O6,452.5,452.1947366,4.1,114,662,0,3,6,13,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-L-THREONINE,073731-37-0,6992530,"(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid",C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O,"InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17+/m1/s1",OYULCCKKLJPNPU-DIFFPNOSSA-N,C19H19NO5,341.4,341.1263227,2.4,95.9,474,0,3,5,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-DBU(FMOC)-OH,117106-21-5,2755945,(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid,CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O,"InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1",MJZDTTZGQUEOBL-FQEVSTJZSA-N,C24H28N2O6,440.5,440.1947366,3.7,114,654,0,3,6,10,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,9-Dioctyl-2,7-Dibromofluorene",198964-46-4,5215321,"2,7-dibromo-9,9-dioctylfluorene",CCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCC,"InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3",CYKLQIOPIMZZBZ-UHFFFAOYSA-N,C29H40Br2,548.4,548.14763,13.4,0,445,0,0,0,14,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(9,9-BIS(2-ETHYLHEXYL)-9H-FLUORENE-2,7-DIYL) BISBORONIC ACID",264615-47-6,3463751,"[7-borono-9,9-bis(2-ethylhexyl)fluoren-2-yl]boronic acid",B(C1=CC2=C(C=C1)C3=C(C2(CC(CC)CCCC)CC(CC)CCCC)C=C(C=C3)B(O)O)(O)O,"InChI=1S/C29H44B2O4/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30(32)33)13-15-25(27)26-16-14-24(31(34)35)18-28(26)29/h13-18,21-22,32-35H,5-12,19-20H2,1-4H3",RBFWXVHGJQDSGG-UHFFFAOYSA-N,C29H44B2O4,478.3,478.3425702,,80.9,563,0,4,4,14,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,9-DI-N-HEXYL-2,7-DIBROMOFLUORENE",189367-54-2,3539647,"2,7-dibromo-9,9-dihexylfluorene",CCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCC,"InChI=1S/C25H32Br2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3",OXFFIMLCSVJMHA-UHFFFAOYSA-N,C25H32Br2,492.3,492.08503,11.2,0,394,0,0,0,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-DINITROFLUORENE",005405-53-8,21502,"2,7-dinitro-9H-fluorene",C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-],"InChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2",IHZCVUBSTYOFSJ-UHFFFAOYSA-N,C13H8N2O4,256.21,256.0484067,3.4,91.6,353,0,0,4,0,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NITROFLUORENE,000607-57-8,11831,2-nitro-9H-fluorene,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],"InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2",XFOHWECQTFIEIX-UHFFFAOYSA-N,C13H9NO2,211.22,211.0633285,3.7,45.8,286,0,0,2,0,16,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUORENE,000086-73-7,6853,9H-fluorene,C1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2",NIHNNTQXNPWCJQ-UHFFFAOYSA-N,C13H10,166.22,166.0782503,4.2,0,164,0,0,0,0,13,151.0 °C (303.8 °F) - closed cup,"563 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ALPHA-FMOC-O-T-BUTYL-L-THREONINE,071989-35-0,3085672,2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid,CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C,"InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)",LZOLWEQBVPVDPR-UHFFFAOYSA-N,C23H27NO5,397.5,397.188923,4,84.9,564,0,2,5,8,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-HYDROXY-9-FLUORENECARBOXYLIC ACID,000467-69-6,10087,9-hydroxyfluorene-9-carboxylic acid,C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O,"InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)",GXAMYUGOODKVRM-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,2,57.5,303,0,2,3,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUORENE-D10,081103-79-9,6913203,"1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene",[2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C(=C3C2([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2",NIHNNTQXNPWCJQ-QNNBDYQESA-N,C13H10,176.28,176.1410178,4.2,0,164,0,0,0,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-fluoren-2-yl-2,2,2-trifluoro-",363-17-7,9690,"N-(9H-fluoren-2-yl)-2,2,2-trifluoroacetamide",C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,"InChI=1S/C15H10F3NO/c16-15(17,18)14(20)19-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H,19,20)",XPHPBNGAXWJHHP-UHFFFAOYSA-N,C15H10F3NO,277.24,277.0714484,4.7,29.1,382,0,1,4,1,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Fluoren-2-ol, 7-amino-",1953-38-4,16053,7-amino-9H-fluoren-2-ol,C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)O,"InChI=1S/C13H11NO/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7,15H,5,14H2",JNIWZBUNAVIXDB-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,2.9,46.3,243,0,2,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester",9/2/14,40816,butyl 9-hydroxyfluorene-9-carboxylate,CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O,"InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3",PSGPXWYGJGGEEG-UHFFFAOYSA-N,C18H18O3,282.3,282.1255944,3.6,46.5,357,0,1,3,5,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
9H-Fluoren-2-ol,2443-58-5,75547,9H-fluoren-2-ol,C1C2=CC=CC=C2C3=C1C=C(C=C3)O,"InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2",ZDOIAPGLORMKTR-UHFFFAOYSA-N,C13H10O,182.22,182.0731649,3.5,20.2,213,0,1,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluorene, 9-methyl-",2523-37-7,17299,9-methyl-9H-fluorene,CC1C2=CC=CC=C2C3=CC=CC=C13,"InChI=1S/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3",ZVEJRZRAUYJYCO-UHFFFAOYSA-N,C14H12,180.24,180.0939004,3.9,0,186,0,0,0,0,14,,"309 to 313 °F at 15 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Fluorene-2,7-diamine, hydrochloride",5178-56-3,3084159,"9H-fluorene-2,7-diamine;hydrochloride",C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N.Cl,"InChI=1S/C13H12N2.ClH/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;/h1-4,6-7H,5,14-15H2;1H",COOWDVCIUYIBFE-UHFFFAOYSA-N,C13H13ClN2,232.71,232.0767261,,52,217,0,3,2,0,16,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
Fluoren-1-amine,6344-63-4,22817,9H-fluoren-1-amine,C1C2=CC=CC=C2C3=C1C(=CC=C3)N,"InChI=1S/C13H11N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8,14H2",CYSPWCARDHRYJX-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.2,26,213,0,1,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Fluoren-3-amine,6344-66-7,22818,9H-fluoren-3-amine,C1C2=C(C=C(C=C2)N)C3=CC=CC=C31,"InChI=1S/C13H11N/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7,14H2",FNGCZPANGGUOPU-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.1,26,213,0,1,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluorene, 9-chloro-",6630-65-5,23115,9-chloro-9H-fluorene,C1=CC=C2C(=C1)C(C3=CC=CC=C32)Cl,"InChI=1S/C13H9Cl/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H",CVCQMAKDIKSUHX-UHFFFAOYSA-N,C13H9Cl,200.66,200.039278,3.7,0,191,0,0,0,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluoren-2-amine, 7-bromo-",6638-60-4,23126,7-bromo-9H-fluoren-2-amine,C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)Br,"InChI=1S/C13H10BrN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2",RJWYTISHBMNMOZ-UHFFFAOYSA-N,C13H10BrN,260.13,258.99966,3.9,26,243,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluorene, 2-bromo-7-nitro-",6638-61-5,23127,2-bromo-7-nitro-9H-fluorene,C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)Br,"InChI=1S/C13H8BrNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2",QTQRHYLAOSURLC-UHFFFAOYSA-N,C13H8BrNO2,290.11,288.97384,4.2,45.8,317,0,0,2,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluren-2-ol, 7-nitro-, acetate (ester)",19383-83-6,29565,(7-nitro-9H-fluoren-2-yl) acetate,CC(=O)OC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-],"InChI=1S/C15H11NO4/c1-9(17)20-13-3-5-15-11(8-13)6-10-7-12(16(18)19)2-4-14(10)15/h2-5,7-8H,6H2,1H3",RBLZCCSHIDZNII-UHFFFAOYSA-N,C15H11NO4,269.25,269.0688078,3.5,72.1,405,0,0,4,2,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-fluoren-4-yl-",28322-02-3,34210,N-(9H-fluoren-4-yl)acetamide,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,"InChI=1S/C15H13NO/c1-10(17)16-14-8-4-6-12-9-11-5-2-3-7-13(11)15(12)14/h2-8H,9H2,1H3,(H,16,17)",PHPWISAFHNEMSR-UHFFFAOYSA-N,C15H13NO,223.27,223.099714,2.7,29.1,301,0,1,1,1,17,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Acetamide, 2,2-dichloro-N-(2-fluorenyl)-",60550-81-4,96300,"2,2-dichloro-N-(9H-fluoren-2-yl)acetamide",C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(Cl)Cl,"InChI=1S/C15H11Cl2NO/c16-14(17)15(19)18-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2,(H,18,19)",SHLOTSWHBOJSGC-UHFFFAOYSA-N,C15H11Cl2NO,292.2,291.0217694,5,29.1,347,0,1,1,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(2,7-dichlorofluoren-4-yl)-",73664-41-2,52049,"N-(2,7-dichloro-9H-fluoren-4-yl)acetamide",CC(=O)NC1=CC(=CC2=C1C3=C(C2)C=C(C=C3)Cl)Cl,"InChI=1S/C15H11Cl2NO/c1-8(19)18-14-7-12(17)6-10-4-9-5-11(16)2-3-13(9)15(10)14/h2-3,5-7H,4H2,1H3,(H,18,19)",YDKSLVUQUFQPMD-UHFFFAOYSA-N,C15H11Cl2NO,292.2,291.0217694,4,29.1,362,0,1,1,1,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1-Fluorenemethanol,73728-55-9,52307,9H-fluoren-1-ylmethanol,C1C2=CC=CC=C2C3=CC=CC(=C31)CO,"InChI=1S/C14H12O/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7,15H,8-9H2",OQKYEMHWZYHWBL-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.7,20.2,225,0,1,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Fluorenecarboxylic acid, 2-(4-ethyl-1-piperazinyl)ethyl ester, dihydrochloride",,80468,9H-fluorene-1-carboxylic acid,C1C2=CC=CC=C2C3=C1C(=CC=C3)C(=O)O,"InChI=1S/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)",HTPXFGUCAUTOEL-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,3.4,37.3,286,0,1,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUERCETIN DIHYDRATE,006151-25-3,5284452,"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,"InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2",GMGIWEZSKCNYSW-UHFFFAOYSA-N,C15H14O9,338.27,338.063782,,129,488,0,7,9,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
KAEMPFEROL,000520-18-3,5280863,"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one",C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,286.24,286.047738,1.9,107,451,0,4,6,1,21,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE",000117-39-5,5280343,"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY-UHFFFAOYSA-N,C15H10O7,302.23,302.0426527,1.5,127,488,0,5,7,1,22,,"Sublimes (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HERBACETIN,000527-95-7,5280544,"3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one",C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O,"InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H",ZDOTZEDNGNPOEW-UHFFFAOYSA-N,C15H10O7,302.23,302.0426527,2.2,127,480,0,5,7,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
QUERCETIN HYDRATE,849061-97-8,16212154,"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O,"InChI=1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2",OKXFBEYCJRMINR-UHFFFAOYSA-N,C15H12O8,320.25,320.0532173,,128,488,0,6,8,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,2'-DIHYDROXYFLAVONE",,688661,6-hydroxy-2-(2-hydroxyphenyl)chromen-4-one,C1=CC=C(C(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O)O,"InChI=1S/C15H10O4/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8,16-17H",YCGXYGWBHFKQHY-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.3,66.8,390,0,2,4,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MORIN,000480-16-0,5281670,"2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one",C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H",YXOLAZRVSSWPPT-UHFFFAOYSA-N,C15H10O7,302.23,302.0426527,1.5,127,488,0,5,7,1,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,7-DIHYDROXYFLAVONE",038183-04-9,5353357,"6,7-dihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)O)O,"InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H",GSAOUZGPXSGVRS-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.3,66.8,384,0,2,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7,8-DIHYDROXYFLAVONE",038183-03-8,1880,"7,8-dihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O,"InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H",COCYGNDCWFKTMF-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.3,66.8,384,0,2,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRICETIN,000520-31-0,5281701,"5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one",C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,"InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H",ARSRJFRKVXALTF-UHFFFAOYSA-N,C15H10O7,302.23,302.0426527,1,127,465,0,5,7,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIOSMETIN,000520-34-3,5281612,"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one",COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",MBNGWHIJMBWFHU-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,1.7,96.2,462,0,3,6,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-BENZOPYRAN-4-ONE, 2-(4-METHOXYPHENYL)-",004143-74-2,77793,2-(4-methoxyphenyl)chromen-4-one,COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2,"InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3",OMICQBVLCVRFGN-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,3.5,35.5,366,0,0,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,4'-DIHYDROXYFLAVONE",,182362,6-hydroxy-2-(4-hydroxyphenyl)chromen-4-one,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)O,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,16-17H",FFULTBKXWHYHFQ-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.3,66.8,382,0,2,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7,3'-DIHYDROXYFLAVONE",,5391140,7-hydroxy-2-(3-hydroxyphenyl)chromen-4-one,C1=CC(=CC(=C1)O)C2=CC(=O)C3=C(O2)C=C(C=C3)O,"InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H",DYARIVMCYYQNNQ-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3.3,66.8,390,0,2,4,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYFLAVONE,000577-85-5,11349,3-hydroxy-2-phenylchromen-4-one,C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O,"InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H",HVQAJTFOCKOKIN-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,3.4,46.5,366,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MYRICETIN,000529-44-2,5281672,"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one",C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",IKMDFBPHZNJCSN-UHFFFAOYSA-N,C15H10O8,318.23,318.0375673,1.2,148,506,0,6,8,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
APIGENIN,000520-36-5,5280443,"5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one",C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",KZNIFHPLKGYRTM-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,1.7,87,410,0,3,5,1,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
FLAVONE,000525-82-6,10680,2-phenylchromen-4-one,C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,3.6,26.3,326,0,0,2,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MORIN HYDRATE,654055-01-3,18542136,"2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate",C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O.O,"InChI=1S/C15H10O7.2H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;;/h1-5,16-19,21H;2*1H2",AEVKYFNHIADTEI-UHFFFAOYSA-N,C15H14O9,338.27,338.063782,,129,488,0,7,9,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXYFLAVONE,006665-83-4,72279,6-hydroxy-2-phenylchromen-4-one,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O,"InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H",GPZYYYGYCRFPBU-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,3.6,46.5,355,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BAICALEIN MONOHYDRATE,000491-67-8,5281605,"5,6,7-trihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H",FXNFHKRTJBSTCS-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,1.7,87,412,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7-DIHYDROXYFLAVONE",000480-40-0,5281607,"5,7-dihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",RTIXKCRFFJGDFG-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,2.1,66.8,384,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',4'-DIHYDROXYFLAVONE",004143-64-0,145726,"2-(3,4-dihydroxyphenyl)chromen-4-one",C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O,"InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H",SRNPMQHYWVKBAV-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,2.8,66.8,390,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACACETIN,000480-44-4,5280442,"5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one",COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",DANYIYRPLHHOCZ-UHFFFAOYSA-N,C16H12O5,284.26,284.0684735,2.1,76,424,0,2,5,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LUTEOLIN,000491-70-3,5280445,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one",C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",IQPNAANSBPBGFQ-UHFFFAOYSA-N,C15H10O6,286.24,286.047738,1.4,107,447,0,4,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALANGIN,000548-83-4,5281616,"3,5,7-trihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",VCCRNZQBSJXYJD-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.3,87,424,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FISETIN,000528-48-3,5281614,"2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one",C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O,"InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H",XHEFDIBZLJXQHF-UHFFFAOYSA-N,C15H10O6,286.24,286.047738,2,107,459,0,4,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RHAMNETIN,000090-19-7,5281691,"2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one",COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",JGUZGNYPMHHYRK-UHFFFAOYSA-N,C16H12O7,316.26,316.0583027,1.9,116,503,0,4,7,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIHYDROXYFLAVONE",,5393151,"3,5-dihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=CC=C3O2)O)O,"InChI=1S/C15H10O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,16,18H",QHYWQIVTVQAKQF-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,2.6,66.8,395,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIHYDROXYFLAVONE",,688659,"3,6-dihydroxy-2-phenylchromen-4-one",C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O,"InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H",XHLOLFKZCUCROE-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3,66.8,395,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,2'-DIHYDROXYFLAVONE",,455313,3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one,C1=CC=C(C(=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)O,"InChI=1S/C15H10O4/c16-11-7-3-1-5-9(11)15-14(18)13(17)10-6-2-4-8-12(10)19-15/h1-8,16,18H",VECGDSZOFMYGAF-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,3,66.8,401,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISORHAMNETIN,000480-19-3,5281654,"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one",COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",IZQSVPBOUDKVDZ-UHFFFAOYSA-N,C16H12O7,316.26,316.0583027,1.9,116,503,0,4,7,2,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-",480-11-5,5320315,"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one",COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O,"InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3",LKOJGSWUMISDOF-UHFFFAOYSA-N,C16H12O5,284.26,284.0684735,2.1,76,426,0,2,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-",480-15-9,5281610,"3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one",C1=CC=C(C(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H",WCNLFPKXBGWWDS-UHFFFAOYSA-N,C15H10O6,286.24,286.047738,1.9,107,459,0,4,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-",481-53-8,68077,"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one",COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC,"InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",ULSUXBXHSYSGDT-UHFFFAOYSA-N,C20H20O7,372.4,372.120903,3,72.5,540,0,0,7,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 5-hydroxy-2-phenyl-",491-78-1,68112,5-hydroxy-2-phenylchromen-4-one,C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O,"InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H",IYBLVRRCNVHZQJ-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,2.5,46.5,355,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-",520-12-7,5320438,"5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one",COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3",GPQLHGCIAUEJQK-UHFFFAOYSA-N,C17H14O6,314.29,314.0790382,2,85.2,468,0,2,6,3,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-",855-96-9,97214,"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one",COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O,"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3",KLAOKWJLUQKWIF-UHFFFAOYSA-N,C18H16O7,344.3,344.0896029,2.9,94.5,520,0,2,7,4,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-",1447-88-7,5281628,"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one",COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",IHFBPDAQLQOCBX-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,1.7,96.2,454,0,3,6,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-",1486-70-0,5280681,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one",COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O,"InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3",WEPBGSIAWZTEJR-UHFFFAOYSA-N,C16H12O7,316.26,316.0583027,2.5,116,503,0,4,7,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-",1592-70-7,5280862,"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one",COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,"InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",VJJZJBUCDWKPLC-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,2.2,96.2,465,0,3,6,2,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Flavone, 8-((dimethylamino)methyl)-7-methoxy-3-methyl-, hydrochloride",4/7/40,443942,8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride,CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3.Cl,"InChI=1S/C20H21NO3.ClH/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14;/h5-11H,12H2,1-4H3;1H",RCISIXJGNBXXPZ-UHFFFAOYSA-N,C20H22ClNO3,359.8,359.1288213,,38.8,493,0,1,4,4,25,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-",4143-62-8,688674,"2-(3,4-dimethoxyphenyl)chromen-4-one",COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC,"InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3",ZGHORMOOTZTQFL-UHFFFAOYSA-N,C17H14O4,282.29,282.0892089,3.5,44.8,417,0,0,4,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-",6601-62-3,188323,"5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one",COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC,"InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3",ZIIAJIWLQUVGHB-UHFFFAOYSA-N,C17H14O6,314.29,314.0790382,2,85.2,468,0,2,6,3,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-hydroxy-2-phenyl-",6665-86-7,5281894,7-hydroxy-2-phenylchromen-4-one,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O,"InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H",MQGPSCMMNJKMHQ-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,3.6,46.5,355,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-phenyl-",21392-57-4,88881,"5,7-dimethoxy-2-phenylchromen-4-one",COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3,"InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3",JRFZSUMZAUHNSL-UHFFFAOYSA-N,C17H14O4,282.29,282.0892089,2.2,44.8,411,0,0,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-",22697-65-0,5352032,"5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one",COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O,"InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3",DDNPCXHBFYJXBJ-UHFFFAOYSA-N,C17H14O7,330.29,330.0739528,2.8,105,509,0,3,7,3,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 6-methoxy-2-phenyl-",26964-24-9,147157,6-methoxy-2-phenylchromen-4-one,COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3,"InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3",XZQLSABETMKIGG-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,3.9,35.5,368,0,0,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 3,5,7-trimethoxy-2-phenyl-",26964-29-4,117900,"3,5,7-trimethoxy-2-phenylchromen-4-one",COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)OC,"InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3",CBTHKWVPSIGKMI-UHFFFAOYSA-N,C18H16O5,312.3,312.0997736,3.3,54,466,0,0,5,4,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-",34334-69-5,160237,"2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one",COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC,"InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3",IMEYGBIXGJLUIS-UHFFFAOYSA-N,C17H14O7,330.29,330.0739528,2.6,105,505,0,3,7,3,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-",42079-78-7,94525,5-methoxy-2-phenylchromen-4-one,COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3,"InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3",XRQSPUXANRGDAV-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,3.5,35.5,368,0,0,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)-",167869-21-8,4713,2-(2-amino-3-methoxyphenyl)chromen-4-one,COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2,"InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3",QFWCYNPOPKQOKV-UHFFFAOYSA-N,C16H13NO3,267.28,267.0895433,2.9,61.6,407,0,1,4,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-",187585-11-1,154850,3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one,COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N,"InChI=1S/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3",HSRUZXHIEFFBHR-UHFFFAOYSA-N,C16H14N2O3,282.29,282.1004423,2,87.6,449,0,2,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-hydroxy-",,145826,"2-(3,4-dihydroxyphenyl)-3-hydroxychromen-4-one",C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H10O5/c16-10-6-5-8(7-11(10)17)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,16-17,19H",KPGMHZQXQVDYNT-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.7,87,430,0,3,5,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZODIOXOLE",000274-09-9,9229,"1,3-benzodioxole",C1OC2=CC=CC=C2O1,"InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2",FTNJQNQLEGKTGD-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,2.1,18.5,91,0,0,2,0,9,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,4-METHYLENEDIOXYAMPHETAMINE (MDA, LOVE DRUG)",004764-17-4,1614,"1-(1,3-benzodioxol-5-yl)propan-2-amine",CC(CC1=CC2=C(C=C1)OCO2)N,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3",NGBBVGZWCFBOGO-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.6,44.5,174,0,1,3,2,13,,157 °C at 22 mm Hg; 80-90 °C at 0.2 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-1,3-BENZODIOXOL-4-OL METHYL CARBAMATE",022781-23-3,2314,"(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate",CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C,"InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)",XEGGRYVFLWGFHI-UHFFFAOYSA-N,C11H13NO4,223.22,223.0844579,1.7,56.8,279,0,1,4,2,16,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PIPERONYLIC ACID,000094-53-1,7196,"1,3-benzodioxole-5-carboxylic acid",C1OC2=C(O1)C=C(C=C2)C(=O)O,"InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)",VDVJGIYXDVPQLP-UHFFFAOYSA-N,C8H6O4,166.13,166.0266087,0.4,55.8,191,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-(METHYLENEDIOXY)PHENYL ISOCYANATE",069922-28-7,5223213,"5-isocyanato-1,3-benzodioxole",C1OC2=C(O1)C=C(C=C2)N=C=O,"InChI=1S/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2",GTTXYMVUACJZRG-UHFFFAOYSA-N,C8H5NO3,163.13,163.026943,2.4,47.9,212,0,0,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
ISOSAFROLE,000120-58-1,637796,"5-[(E)-prop-1-enyl]-1,3-benzodioxole",C/C=C/C1=CC2=C(C=C1)OCO2,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",VHVOLFRBFDOUSH-NSCUHMNNSA-N,C10H10O2,162.18,162.0680796,3.1,18.5,177,0,0,2,1,12,,"487 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0
"1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, METHYL ESTER",000326-56-7,67590,"methyl 1,3-benzodioxole-5-carboxylate",COC(=O)C1=CC2=C(C=C1)OCO2,"InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3",QCHGUEIECOASJU-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.4,44.8,204,0,0,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZODIOXOLE, 5-NITRO-",002620-44-2,75798,"5-nitro-1,3-benzodioxole",C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2",SNWQAKNKGGOVMO-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.4,64.3,190,0,0,4,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 1,3-BENZODIOXOL-5-YLMETHYL ESTER",005461-08-5,62580,"1,3-benzodioxol-5-ylmethyl 2-methylpropanoate",CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2,"InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3",RQULTIASPCVEFO-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.7,44.8,251,0,0,4,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZODIOXOL-5-AMINE",014268-66-7,84310,"1,3-benzodioxol-5-amine",C1OC2=C(O1)C=C(C=C2)N,"InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2",XGNXYCFREOZBOL-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.9,44.5,129,0,1,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-",023023-13-4,89964,"1-(1,3-benzodioxol-5-yl)butan-2-one",CCC(=O)CC1=CC2=C(C=C1)OCO2,"InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3",SWKXHWCUDGJLNA-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2,35.5,215,0,0,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZODIOXOLE, 5-(DIETHOXYMETHYL)-",040527-42-2,95136,"5-(diethoxymethyl)-1,3-benzodioxole",CCOC(C1=CC2=C(C=C1)OCO2)OCC,"InChI=1S/C12H16O4/c1-3-13-12(14-4-2)9-5-6-10-11(7-9)16-8-15-10/h5-7,12H,3-4,8H2,1-2H3",YDQLGNDCYHZHEE-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,2.3,36.9,203,0,0,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Penten-3-ol, 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-",049763-96-4,5311454,"(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol",CC(C)(C)C(/C=C/C1=CC2=C(C=C1)OCO2)O,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+",IBLNKMRFIPWSOY-FNORWQNLSA-N,C14H18O3,234.29,234.1255944,3.6,38.7,280,0,1,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-HYDROXY-3,4-METHYLENEDIOXYAMPHETAMINE (N-HYDROXY MDA)",074698-47-8,98528,"N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine",CC(CC1=CC2=C(C=C1)OCO2)NO,"InChI=1S/C10H13NO3/c1-7(11-12)4-8-2-3-9-10(5-8)14-6-13-9/h2-3,5,7,11-12H,4,6H2,1H3",FNDCTJYFKOQGTL-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,1.7,50.7,188,0,2,4,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTYLONE HYDROCHLORIDE,017763-01-8,71750183,"1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;hydrochloride",CCCC(C(=O)C1=CC2=C(C=C1)OCO2)NC.Cl,"InChI=1S/C13H17NO3.ClH/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11;/h5-7,10,14H,3-4,8H2,1-2H3;1H",WEFFVTZHXLDTJV-UHFFFAOYSA-N,C13H18ClNO3,271.74,271.0975211,,47.6,269,0,2,4,5,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
SAFROLE,000094-59-7,5144,"5-prop-2-enyl-1,3-benzodioxole",C=CCC1=CC2=C(C=C1)OCO2,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",ZMQAAUBTXCXRIC-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,3,18.5,167,0,0,2,2,12,"208 °F (NTP, 1992)","450 to 453 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,3-(METHYLENEDIOXY)BENZALDEHYDE",007797-83-3,82264,"1,3-benzodioxole-4-carbaldehyde",C1OC2=CC=CC(=C2O1)C=O,"InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2",QZMQKPGVXNSITP-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.2,35.5,157,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BROMOPIPERONAL,015930-53-7,95062,"6-bromo-1,3-benzodioxole-5-carbaldehyde",C1OC2=C(O1)C=C(C(=C2)C=O)Br,"InChI=1S/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2",CSQUXTSIDQURDV-UHFFFAOYSA-N,C8H5BrO3,229.03,227.94221,1.9,35.5,185,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POTASSIUM 3,4-(METHYLENEDIOXY) PHENYLTRIFLUOROBORATE",871231-46-8,23697348,"potassium 1,3-benzodioxol-5-yl(trifluoro)boranuide",[B-](C1=CC2=C(C=C1)OCO2)(F)(F)F.[K+],"InChI=1S/C7H5BF3O2.K/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6;/h1-3H,4H2;/q-1;+1",DGKKZZSEXSGSIG-UHFFFAOYSA-N,C7H5BF3KO2,228.02,227.9971755,,18.5,202,0,0,6,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZODIOXOL-5-OL",000533-31-3,68289,"1,3-benzodioxol-5-ol",C1OC2=C(O1)C=C(C=C2)O,"InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2",LUSZGTFNYDARNI-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.2,38.7,126,0,1,3,0,10,,272.00 to 274.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-METHYLENEDIOXYPHENYL-2-PROPANONE",004676-39-5,78407,"1-(1,3-benzodioxol-5-yl)propan-2-one",CC(=O)CC1=CC2=C(C=C1)OCO2,"InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3",XIYKRJLTYKUWAM-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.6,35.5,202,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZODIOXOLE-5-CARBOXALDEHYDE, 7-METHOXY-",005780-07-4,22016,"7-methoxy-1,3-benzodioxole-5-carbaldehyde",COC1=CC(=CC2=C1OCO2)C=O,"InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3",LOFRBHZYZCIOJO-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.2,44.8,194,0,0,4,2,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZODIOXOL-5-AMINE, N-ETHYL-",032953-14-3,118365,"N-ethyl-1,3-benzodioxol-5-amine",CCNC1=CC2=C(C=C1)OCO2,"InChI=1S/C9H11NO2/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-5,10H,2,6H2,1H3",FPKGTVXPIULTIP-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.9,30.5,151,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYLONE HYDROCHLORIDE,017762-90-2,56845542,"1-(1,3-benzodioxol-5-yl)-2-(methylamino)butan-1-one;hydrochloride",CCC(C(=O)C1=CC2=C(C=C1)OCO2)NC.Cl,"InChI=1S/C12H15NO3.ClH/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10;/h4-6,9,13H,3,7H2,1-2H3;1H",KCJFEZQEDOBEOT-UHFFFAOYSA-N,C12H16ClNO3,257.71,257.0818711,,47.6,257,0,2,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
".ALPHA.-METHYL-1,3-BENZODIOXOLE-5-PROPANAL",001205-17-0,64805,"3-(1,3-benzodioxol-5-yl)-2-methylpropanal",CC(CC1=CC2=C(C=C1)OCO2)C=O,"InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3",BOPPSUHPZARXTH-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2.2,35.5,205,0,0,3,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
PIPERONAL,000120-57-0,8438,"1,3-benzodioxole-5-carbaldehyde",C1OC2=C(O1)C=C(C=C2)C=O,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",SATCULPHIDQDRE-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.1,35.5,157,0,0,3,1,11,,"505 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,2-DIMETHYL-1,3-BENZODIOXOL-4-OL",022961-82-6,62765,"2,2-dimethyl-1,3-benzodioxol-4-ol",CC1(OC2=CC=CC(=C2O1)O)C,"InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3",CSSWBRMYHJVCPZ-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.8,38.7,179,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZODIOXOLE, 5-(DIMETHOXYMETHYL)-",059259-90-4,100996,"5-(dimethoxymethyl)-1,3-benzodioxole",COC(C1=CC2=C(C=C1)OCO2)OC,"InChI=1S/C10H12O4/c1-11-10(12-2)7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,6H2,1-2H3",UNANDJIJRBQOOF-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.6,36.9,181,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PIPERONYL BUTOXIDE,000051-03-6,5794,"5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole",CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,"InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",FIPWRIJSWJWJAI-UHFFFAOYSA-N,C19H30O5,338.4,338.2093241,3.7,46.2,312,0,0,5,13,24,"340 °F (NTP, 1992)","356 °F at 1 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"5-PROPYL-1,3-BENZODIOXOLE",000094-58-6,7197,"5-propyl-1,3-benzodioxole",CCCC1=CC2=C(C=C1)OCO2,"InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3",MYEIDJPOUKASEC-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,3.2,18.5,147,0,0,2,2,12,,228 °C,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, 2-(2-ethoxyethoxy)ethyl 3,4-(methylenedioxy)phenyl acetal",51-14-9,5796,"5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole",CCOCCOCCOC(C)OC1=CC2=C(C=C1)OCO2,"InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3",WABPPBHOPMUJHV-UHFFFAOYSA-N,C15H22O6,298.33,298.1416384,2.2,55.4,275,0,0,6,10,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-allyl-2,3-dimethoxy-4,5-(methylenedioxy)-",484-31-1,10231,"4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole",COC1=C(C2=C(C=C1CC=C)OCO2)OC,"InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3",LIKYNOPXHGPMIH-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.7,36.9,243,0,0,4,4,16,,285.00 to 292.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzodioxole-5-carboxaldehyde, 6-nitro-",712-97-0,12840,"6-nitro-1,3-benzodioxole-5-carbaldehyde",C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-],"InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2",NRZWECORTTWSEF-UHFFFAOYSA-N,C8H5NO5,195.13,195.0167723,1,81.4,251,0,0,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-methylenedioxy-",1484-85-1,73874,"2-(1,3-benzodioxol-5-yl)ethanamine",C1OC2=C(O1)C=C(C=C2)CCN,"InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2",RRIRDPSOCUCGBV-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.2,44.5,151,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Styrene, 3,4-methylenedioxy-beta-nitro-",1485-00-3,672296,"5-[(E)-2-nitroethenyl]-1,3-benzodioxole",C1OC2=C(O1)C=C(C=C2)/C=C/[N+](=O)[O-],"InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+",KFLWBZPSJQPRDD-ONEGZZNKSA-N,C9H7NO4,193.16,193.0375077,2.4,64.3,248,0,0,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-methylenedioxy-, hydrochloride",1653-64-1,74246,"2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride",C1OC2=C(O1)C=C(C=C2)CCN.Cl,"InChI=1S/C9H11NO2.ClH/c10-4-3-7-1-2-8-9(5-7)12-6-11-8;/h1-2,5H,3-4,6,10H2;1H",NDYXFQODWGEGNU-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,44.5,151,0,2,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, 3,4-(methylenedioxy)-",2815-95-4,64810,"3-(1,3-benzodioxol-5-yl)propanoic acid",C1OC2=C(O1)C=C(C=C2)CCC(=O)O,"InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)",UIYJGLLTSVRSBM-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.6,55.8,216,0,1,4,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Piperonylonitrile,9/4/21,78136,"1,3-benzodioxole-5-carbonitrile",C1OC2=C(O1)C=C(C=C2)C#N,"InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2",PKRWWZCDLJSJIF-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,1.3,42.3,196,0,0,3,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Toluene, alpha,2-dibromo-4,5-methylenedioxy-",5434-47-9,95063,"5-bromo-6-(bromomethyl)-1,3-benzodioxole",C1OC2=C(O1)C=C(C(=C2)CBr)Br,"InChI=1S/C8H6Br2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2",FDCXAYVCUJDBJU-UHFFFAOYSA-N,C8H6Br2O2,293.94,293.87141,3,18.5,165,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, alpha-methyl-3,4-methylenedioxy-, hydrochloride",6292-91-7,110823,"1-(1,3-benzodioxol-5-yl)propan-2-amine;hydrochloride",CC(CC1=CC2=C(C=C1)OCO2)N.Cl,"InChI=1S/C10H13NO2.ClH/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9;/h2-3,5,7H,4,6,11H2,1H3;1H",XLAOKZDOZHZWBK-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,,44.5,174,0,2,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzodioxole-5-methanol, alpha-ethyl-",6890-30-8,165553,"1-(1,3-benzodioxol-5-yl)propan-1-ol",CCC(C1=CC2=C(C=C1)OCO2)O,"InChI=1S/C10H12O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5,8,11H,2,6H2,1H3",PXFYAFDHWSXVLU-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2,38.7,172,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzodioxole, 5-methyl-",7145-99-5,81564,"5-methyl-1,3-benzodioxole",CC1=CC2=C(C=C1)OCO2,"InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3",GHPODDMCSOYWNE-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2.3,18.5,124,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-1,3-benzodioxol-5-yl-",13067-19-1,98688,"N-(1,3-benzodioxol-5-yl)acetamide",CC(=O)NC1=CC2=C(C=C1)OCO2,"InChI=1S/C9H9NO3/c1-6(11)10-7-2-3-8-9(4-7)13-5-12-8/h2-4H,5H2,1H3,(H,10,11)",CGLCDOZYDURWIG-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,0.8,47.6,207,0,1,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(1,3-benzodioxol-5-yl)-",28281-49-4,95682,"1-(1,3-benzodioxol-5-yl)propan-1-one",CCC(=O)C1=CC2=C(C=C1)OCO2,"InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3",RVBJGSPBFIUTTR-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.7,35.5,202,0,0,3,2,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2,2'-(piperonylidenedithio)di-",34914-27-7,36986,"2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid",C1OC2=C(O1)C=C(C=C2)C(SCC(=O)O)SCC(=O)O,"InChI=1S/C12H12O6S2/c13-10(14)4-19-12(20-5-11(15)16)7-1-2-8-9(3-7)18-6-17-8/h1-3,12H,4-6H2,(H,13,14)(H,15,16)",VNAYOZFFVJKRMJ-UHFFFAOYSA-N,C12H12O6S2,316.4,316.0075305,2.4,144,346,0,2,8,7,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, alpha-ethyl-3,4-methylenedioxy-, hydrochloride",42542-07-4,3039210,"1-(1,3-benzodioxol-5-yl)butan-2-amine;hydrochloride",CCC(CC1=CC2=C(C=C1)OCO2)N.Cl,"InChI=1S/C11H15NO2.ClH/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10;/h3-4,6,9H,2,5,7,12H2,1H3;1H",LFRHMTZYADABJZ-UHFFFAOYSA-N,C11H16ClNO2,229.7,229.0869564,,44.5,186,0,2,3,3,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propen-1-ol, 3-(1,3-benzodioxol-5-yl)-",63785-57-9,6440108,"(E)-3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol",C1OC2=C(O1)C=C(C=C2)C/C=C/O,"InChI=1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1,3-6,11H,2,7H2/b5-1+",GIGHYJQRMLZPOZ-ORCRQEGFSA-N,C10H10O3,178.18,178.0629942,2.3,38.7,191,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-propyl-, hydrochloride",74341-77-8,3057997,"1-(1,3-benzodioxol-5-yl)-N-propylpropan-2-amine;hydrochloride",CCCNC(C)CC1=CC2=C(C=C1)OCO2.Cl,"InChI=1S/C13H19NO2.ClH/c1-3-6-14-10(2)7-11-4-5-12-13(8-11)16-9-15-12;/h4-5,8,10,14H,3,6-7,9H2,1-2H3;1H",WAXHXZWOUQTVQZ-UHFFFAOYSA-N,C13H20ClNO2,257.75,257.1182566,,30.5,210,0,2,3,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride",74341-78-9,3057998,"1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride",CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl,"InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H",IBDIPBWIXJRJQM-UHFFFAOYSA-N,C12H18ClNO2,243.73,243.1026065,,30.5,198,0,2,3,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-",82801-81-8,105039,"1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine",CCNC(C)CC1=CC2=C(C=C1)OCO2,"InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3",PVXVWWANJIWJOO-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2.5,30.5,198,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzodioxole-5-ethanamine, alpha-ethyl-N-methyl-",103818-46-8,124844,"1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine",CCC(CC1=CC2=C(C=C1)OCO2)NC,"InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3",USWVWJSAJAEEHQ-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2.7,30.5,198,0,1,3,4,15,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-(methylenedioxy)-N-methyl-, hydrochloride",,23616994,"2-(1,3-benzodioxol-5-yl)-N-methylethanamine;hydrochloride",CNCCC1=CC2=C(C=C1)OCO2.Cl,"InChI=1S/C10H13NO2.ClH/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9;/h2-3,6,11H,4-5,7H2,1H3;1H",MNHMCRQZDWHQBP-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,,30.5,163,0,2,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHYDRODIMETHYLFURAN,001320-94-1,136791,"2,2-dimethyloxolane",CC1(CCCO1)C,"InChI=1S/C6H12O/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3",ZPDIRKNRUWXYLJ-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.2,9.2,66,0,0,1,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDROFURAN-D8,001693-74-9,80290,"2,2,3,3,4,4,5,5-octadeuteriooxolane",[2H]C1(C(C(OC1([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2",WYURNTSHIVDZCO-SVYQBANQSA-N,C4H8O,80.15,80.10772884,0.5,9.2,22,0,0,1,0,5,,,0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TETRAHYDRO-2-METHYLFURAN,000096-47-9,7301,2-methyloxolane,CC1CCCO1,"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",JWUJQDFVADABEY-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,9.2,43,0,0,1,0,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(T-4)-TRIHYDRO(TETRAHYDROFURAN)BORON,014044-65-6,11062302,,[B].C1CCOC1,InChI=1S/C4H8O.B/c1-2-4-5-3-1;/h1-4H2;,UWTDFICHZKXYAC-UHFFFAOYSA-N,C4H8BO,82.92,83.06682,,9.2,22,0,0,1,0,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,5,5-TETRAMETHYLTETRAHYDROFURAN",015045-43-9,27010,"2,2,5,5-tetramethyloxolane",CC1(CCC(O1)(C)C)C,"InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3",BBLDTXFLAHKYFJ-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.1,9.2,99,0,0,1,0,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2,5-DIETHYLTETRAHYDRO-",041239-48-9,62913,"2,5-diethyloxolane",CCC1CCC(O1)CC,"InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3",YKWLEIXVUHRKEF-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.5,9.2,70,0,0,1,2,9,,116.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDROFURAN,000109-99-9,8028,oxolane,C1CCOC1,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,WYURNTSHIVDZCO-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.5,9.2,22,0,0,1,0,5,"6 °F (NTP, 1992)","151 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2,5-DIMETHOXYTETRAHYDROFURAN",000696-59-3,79098,"2,5-dimethoxyoxolane",COC1CCC(O1)OC,"InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3",GFISDBXSWQMOND-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.6,27.7,74,0,0,3,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-(ETHOXYMETHYL)TETRAHYDROFURAN,062435-71-6,98256,2-(ethoxymethyl)oxolane,CCOCC1CCCO1,"InChI=1S/C7H14O2/c1-2-8-6-7-4-3-5-9-7/h7H,2-6H2,1H3",VUFKMYLDDDNUJS-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,0.9,18.5,73,0,0,2,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0
"2,5-DIETHOXYTETRAHYDROFURAN",003320-90-9,95500,"2,5-diethoxyoxolane",CCOC1CCC(O1)OCC,"InChI=1S/C8H16O3/c1-3-9-7-5-6-8(11-7)10-4-2/h7-8H,3-6H2,1-2H3",ZLKHNURELCONBB-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,1.3,27.7,93,0,0,3,4,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"TETRAHYDRO-2,5-DIMETHYLFURAN",001003-38-9,13855,"2,5-dimethyloxolane",CC1CCC(O1)C,"InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3",OXMIDRBAFOEOQT-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.2,9.2,53,0,0,1,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2-(CHLOROMETHYL)TETRAHYDRO-",003003-84-7,18150,2-(chloromethyl)oxolane,C1CC(OC1)CCl,"InChI=1S/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2",IVJLGIMHHWKRAN-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,1.2,9.2,56,0,0,1,1,7,,150-151 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-FURANMETHANAMINE, TETRAHYDRO-",004795-29-3,253298,oxolan-2-ylmethanamine,C1CC(OC1)CN,"InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2",YNOGYQAEJGADFJ-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.3,35.3,56,0,1,2,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-FURANTHIOL, TETRAHYDRO-2-METHYL-",057124-87-5,62128,2-methyloxolane-3-thiol,CC1C(CCO1)S,"InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3",DBPHPBLAKVZXOY-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,1,10.2,65,0,1,2,0,7,,163.00 to 168.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
OCTAFLUOROTETRAHYDROFURAN,000773-14-8,164733,"2,2,3,3,4,4,5,5-octafluorooxolane",C1(C(C(OC1(F)F)(F)F)(F)F)(F)F,"InChI=1S/C4F8O/c5-1(6)2(7,8)4(11,12)13-3(1,9)10",UEOZRAZSBQVQKG-UHFFFAOYSA-N,C4F8O,216.03,215.9821399,2.7,9.2,208,0,0,9,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BORON TRIFLUORIDE-TETRAHYDROFURAN COMPLEX,000462-34-0,71088,oxolane;trifluoroborane,B(F)(F)F.C1CCOC1,InChI=1S/C4H8O.BF3/c1-2-4-5-3-1;2-1(3)4/h1-4H2;,CHNLPLHJUPMEOI-UHFFFAOYSA-N,C4H8BF3O,139.91,140.0620295,,9.2,30,0,0,4,0,9,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-PROPENOIC ACID, (TETRAHYDRO-2-FURANYL)METHYL ESTER",002399-48-6,94232,oxolan-2-ylmethyl prop-2-enoate,C=CC(=O)OCC1CCCO1,"InChI=1S/C8H12O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7H,1,3-6H2",YNXCGLKMOXLBOD-UHFFFAOYSA-N,C8H12O3,156.18,156.0786442,1.1,35.5,153,0,0,3,4,11,,188.6 °F,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
TETRAHYDRO-2-FURANCARBOXALDEHYDE,007681-84-7,24354,oxolane-2-carbaldehyde,C1CC(OC1)C=O,"InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2",BBNYLDSWVXSNOQ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.1,26.3,70,0,0,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2-(BROMOMETHYL)TETRAHYDRO-",001192-30-9,14501,2-(bromomethyl)oxolane,C1CC(OC1)CBr,"InChI=1S/C5H9BrO/c6-4-5-2-1-3-7-5/h5H,1-4H2",VOHILFSOWRNVJJ-UHFFFAOYSA-N,C5H9BrO,165.03,163.98368,1.4,9.2,56,0,0,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LINALOOL OXIDE,001365-19-1,22310,2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol,CC1(CCC(O1)C(C)(C)O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",BRHDDEIRQPDPMG-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,1.4,29.5,186,0,1,2,2,12,,193.00 to 194.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-FURANMETHANOL, 5-ETHENYLTETRAHYDRO-.ALPHA.,.ALPHA.,5-TRIMETHYL-, CIS-",005989-33-3,6428573,"2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol",C[C@]1(CC[C@@H](O1)C(C)(C)O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1",BRHDDEIRQPDPMG-PSASIEDQSA-N,C10H18O2,170.25,170.1306798,1.4,29.5,186,0,1,2,2,12,,188.00 to 192.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-FURANMETHANOL, 5-ETHENYLTETRAHYDRO-.ALPHA.,.ALPHA.,5-TRIMETHYL-, TRANS-",034995-77-2,6431475,"2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol",C[C@@]1(CC[C@@H](O1)C(C)(C)O)C=C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1",BRHDDEIRQPDPMG-SCZZXKLOSA-N,C10H18O2,170.25,170.1306798,1.4,29.5,186,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DINOTEFURAN,165252-70-0,197701,2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine,CN=C(NCC1CCOC1)N[N+](=O)[O-],"InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)",YKBZOVFACRVRJN-UHFFFAOYSA-N,C7H14N4O3,202.21,202.1065903,0,91.5,225,0,2,4,4,14,,208 °C (decomposes),1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDROFURFURYL ACETATE,000637-64-9,12506,oxolan-2-ylmethyl acetate,CC(=O)OCC1CCCO1,"InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3",AAQDYYFAFXGBFZ-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.5,35.5,122,0,0,3,3,10,,194.00 to 195.00 °C. @ 753.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-FURANMETHANOL, TETRAHYDRO-, PROPANOATE",000637-65-0,61183,oxolan-2-ylmethyl propanoate,CCC(=O)OCC1CCCO1,"InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3",FMKCDSXOYLTWBR-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1,35.5,133,0,0,3,4,11,,205.00 to 207.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, (TETRAHYDRO-2-FURANYL)METHYL ESTER",002217-33-6,551316,oxolan-2-ylmethyl butanoate,CCCC(=O)OCC1CCCO1,"InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3",DPZVDLFOAZNCBU-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.4,35.5,145,0,0,3,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM DIISOPROPYLAMIDE MONO(TETRAHYDROFURAN),123333-84-6,10997623,lithium;di(propan-2-yl)azanide;oxolane,[Li+].CC(C)[N-]C(C)C.C1CCOC1,"InChI=1S/C6H14N.C4H8O.Li/c1-5(2)7-6(3)4;1-2-4-5-3-1;/h5-6H,1-4H3;1-4H2;/q-1;;+1",YTJXGDYAEOTOCG-UHFFFAOYSA-N,C10H22LiNO,179.3,179.1861428,,10.2,60,0,0,2,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-DEOXY-D-RIBOSE,000533-67-5,9828112,"(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol",C1[C@@H]([C@H](OC1O)CO)O,"InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1",PDWIQYODPROSQH-PYHARJCCSA-N,C5H10O4,134.13,134.0579088,-1,69.9,95,0,3,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,5-TETRA-O-ACETYL-B-D-RIBOFURANOSE",013035-61-5,83064,"[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1",IHNHAHWGVLXCCI-FDYHWXHSSA-N,C13H18O9,318.28,318.0950822,0.7,114,458,0,0,9,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRAHYDROFURAN-2,3,4,5-TETRACARBOXYLIC ACID",026106-63-8,97421,"oxolane-2,3,4,5-tetracarboxylic acid",C1(C(C(OC1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",UFOIOXZLTXNHQH-UHFFFAOYSA-N,C8H8O9,248.14,248.0168318,-1.8,158,350,0,4,9,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUORO-2-BUTYLTETRAHYDROFURAN,000335-36-4,78976,"2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane",C1(C(C(OC1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F,"InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6",FYJQJMIEZVMYSD-UHFFFAOYSA-N,C8F16O,416.06,415.9693652,5.4,9.2,545,0,0,17,3,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-ANHYDRO-D-MANNITOL",041107-82-8,73544,"(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol",C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1",MCHWWJLLPNDHGL-KVTDHHQDSA-N,C6H12O5,164.16,164.0684735,-1.5,90.2,114,0,4,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SORBITAN MONOPALMITATE,026266-57-9,16212480,"[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O,"InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1",IYFATESGLOUGBX-YVNJGZBMSA-N,C22H42O6,402.6,402.2981391,5.8,96.2,389,0,3,6,18,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SORBITAN TRIOLEATE,026266-58-0,9920343,"[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-[(Z)-octadec-9-enoyl]oxyoxolan-2-yl]-2-[(Z)-octadec-9-enoyl]oxyethyl] (Z)-octadec-9-enoate",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59+,60+/m0/s1",PRXRUNOAOLTIEF-ADSICKODSA-N,C60H108O8,957.5,956.8044204,21.5,108,1230,0,1,8,53,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-ANHYDROERYTHRITOL",004358-64-9,641773,"(3R,4S)-oxolane-3,4-diol",C1[C@H]([C@H](CO1)O)O,"InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+",SSYDTHANSGMJTP-ZXZARUISSA-N,C4H8O3,104.1,104.0473441,-1.4,49.7,56,0,2,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-FRUCTOSE 1-PHOSPHATE SODIUM,103213-46-3,122129543,"disodium;[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate",C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+],"InChI=1S/C6H13O9P.2Na/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13;;/h3-5,7-10H,1-2H2,(H2,11,12,13);;/q;2*+1/p-2/t3-,4-,5+,6?;;/m1../s1",RMXREVINNWOITI-UHOQFTJOSA-L,C6H11Na2O9P,304.1,303.9936075,,163,278,0,4,9,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-TETRAHYDRO-3-FURANMETHANOL,015833-61-1,139980,oxolan-3-ylmethanol,C1COCC1CO,"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2",PCPUMGYALMOCHF-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.2,29.5,54,0,1,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-FURANOL, TETRAHYDRO-",000453-20-3,9960,oxolan-3-ol,C1COCC1O,"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2",XDPCNPCKDGQBAN-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.4,29.5,44,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-FURANPROPANOL, TETRAHYDRO-",000767-08-8,13020,3-(oxolan-2-yl)propan-1-ol,C1CC(OC1)CCCO,"InChI=1S/C7H14O2/c8-5-1-3-7-4-2-6-9-7/h7-8H,1-6H2",XVYHFICIWQBZDI-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,0.7,29.5,73,0,1,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2-HEPTYLTETRAHYDRO-",002435-16-7,102816,2-heptyloxolane,CCCCCCCC1CCCO1,"InChI=1S/C11H22O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11H,2-10H2,1H3",VBQKNJGYWOBPMY-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,4.1,9.2,101,0,0,1,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAHYDROFURFURYL METHACRYLATE (STABILIZED),002455-24-5,17151,oxolan-2-ylmethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1CCCO1,"InChI=1S/C9H14O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h8H,1,3-6H2,2H3",LCXXNKZQVOXMEH-UHFFFAOYSA-N,C9H14O3,170.21,170.0942943,1.5,35.5,186,0,0,3,4,12,,59-62 °C at 0.080 kPa (0.6 mm Hg),0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
TETRAHYDROFURFURYL N-BUTYL ETHER,019114-88-6,4581212,2-(butoxymethyl)oxolane,CCCCOCC1CCCO1,"InChI=1S/C9H18O2/c1-2-3-6-10-8-9-5-4-7-11-9/h9H,2-8H2,1H3",PGZISVXTYZWYPK-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,1.7,18.5,93,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDROFURFURYL ALCOHOL,000097-99-4,7360,oxolan-2-ylmethanol,C1CC(OC1)CO,"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2",BSYVTEYKTMYBMK-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,29.5,54,0,1,2,1,7,"167 °F (NFPA, 2010)",178 °C @ 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
Muscarine chloride,2303-35-7,16817,"[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium chloride",C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-],"InChI=1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1",WUFRNEJYZWHXLC-CTERPIQNSA-M,C9H20ClNO2,209.71,209.1182566,,29.5,153,0,1,3,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furan, 2,3-dichlorotetrahydro-",3511-19-1,19025,"2,3-dichlorooxolane",C1COC(C1Cl)Cl,"InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2",ZQHLMWUFVRLDRK-UHFFFAOYSA-N,C4H6Cl2O,140.99,139.9795702,1.6,9.2,66,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Furanol, tetrahydro-",5371-52-8,93002,oxolan-2-ol,C1CC(OC1)O,"InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2",JNODDICFTDYODH-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0,29.5,44,0,1,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-Furanol, tetrahydro-2,2,5,5-tetramethyl-",29839-74-5,34730,"2,2,5,5-tetramethyloxolan-3-ol",CC1(CC(C(O1)(C)C)O)C,"InChI=1S/C8H16O2/c1-7(2)5-6(9)8(3,4)10-7/h6,9H,5H2,1-4H3",GKSJXWYSYWFBEY-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,0.8,29.5,138,0,1,2,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-Furanol, tetrahydro-2-methyl-",29848-44-0,34742,2-methyloxolan-3-ol,CC1C(CCO1)O,"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3",ZFVWBUVYNPLIIS-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0,29.5,63,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furanol, tetrahydro-5,5-dimethyl-",29848-46-2,34744,"5,5-dimethyloxolan-3-ol",CC1(CC(CO1)O)C,"InChI=1S/C6H12O2/c1-6(2)3-5(7)4-8-6/h5,7H,3-4H2,1-2H3",MPEYEQCMWJLKJQ-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,29.5,88,0,1,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(2-((tetrahydro-2-furanyl)methoxy)ethoxy)-",52814-38-7,40540,2-[2-(oxolan-2-ylmethoxy)ethoxy]ethanol,C1CC(OC1)COCCOCCO,"InChI=1S/C9H18O4/c10-3-5-11-6-7-12-8-9-2-1-4-13-9/h9-10H,1-8H2",XOTDXFVGTLWKLI-UHFFFAOYSA-N,C9H18O4,190.24,190.1205091,-0.3,47.9,118,0,1,4,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furancarboxaldehyde, tetrahydro-",79710-86-4,157568,oxolane-3-carbaldehyde,C1COCC1C=O,"InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2",GSUBXIVOZXWGKF-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,-0.3,26.3,70,0,0,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furanpropanol, tetrahydro-alpha-methyl-",,227181,4-(oxolan-2-yl)butan-2-ol,CC(CCC1CCCO1)O,"InChI=1S/C8H16O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-6H2,1H3",JBLNBMHKAAHKDC-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.1,29.5,93,0,1,2,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THIAZOLE,000288-47-1,9256,"1,3-thiazole",C1=CSC=N1,InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H,FZWLAAWBMGSTSO-UHFFFAOYSA-N,C3H3NS,85.13,84.99862027,0.4,41.1,30,0,0,2,0,5,,"242.2 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYLTHIAZOLE,000693-95-8,12748,"4-methyl-1,3-thiazole",CC1=CSC=N1,"InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3",QMHIMXFNBOYPND-UHFFFAOYSA-N,C4H5NS,99.16,99.01427034,1,41.1,46,0,0,2,0,6,,132 °C @ 743 MM HG,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"THIAZOLE, 2,4-DIMETHYL-",000541-58-2,10934,"2,4-dimethyl-1,3-thiazole",CC1=CSC(=N1)C,"InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3",OBSLLHNATPQFMJ-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,1.8,41.1,65,0,0,2,0,7,,145.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLE, 2,5-DIMETHYL-",004175-66-0,77837,"2,5-dimethyl-1,3-thiazole",CC1=CN=C(S1)C,"InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3",WVUHHPQQQLBMOE-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,1.8,41.1,65,0,0,2,0,7,,152.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLE, 4-METHYL-2-(1-METHYLETHYL)-",015679-13-7,61808,"4-methyl-2-propan-2-yl-1,3-thiazole",CC1=CSC(=N1)C(C)C,"InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3",OFLXNHNYPQPQKW-UHFFFAOYSA-N,C7H11NS,141.24,141.0612205,2.5,41.1,92,0,0,2,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"THIAZOLE, 2-PROPYL-",017626-75-4,87198,"2-propyl-1,3-thiazole",CCCC1=NC=CS1,"InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3",CMOIEFFAOUQJPS-UHFFFAOYSA-N,C6H9NS,127.21,127.0455705,2.1,41.1,65,0,0,2,2,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-BROMOTHIAZOLE,003034-53-5,76430,"2-bromo-1,3-thiazole",C1=CSC(=N1)Br,InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H,RXNZFHIEDZEUQM-UHFFFAOYSA-N,C3H2BrNS,164.03,162.90913,1.8,41.1,50,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-THIAZOLAMINE, 4-(CHLOROMETHYL)-, MONOHYDROCHLORIDE",059608-97-8,73228,"4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride",C1=C(N=C(S1)N)CCl.Cl,"InChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H",NMAKJOWVEDTHOA-UHFFFAOYSA-N,C4H6Cl2N2S,185.07,183.9628748,,67.2,80,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-AMINOTHIAZOLE,000096-50-4,2155,"1,3-thiazol-2-amine",C1=CSC(=N1)N,"InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",RAIPHJJURHTUIC-UHFFFAOYSA-N,C3H4N2S,100.14,100.0095193,0.4,67.2,48,0,1,3,0,6,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
3-(((2-((AMINOIMINOMETHYL)AMINO)-4-THIAZOLYL)METHYL)THIO)-N-(AMINOSULFONYL)-PROPANIMIDAMIDE,076824-35-6,5702160,"3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide",C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N,C8H15N7O2S3,337.5,337.0449363,-0.6,238,469,0,4,8,7,20,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIAZOLAMINE, 5-NITRO-",000121-66-4,8486,"5-nitro-1,3-thiazol-2-amine",C1=C(SC(=N1)N)[N+](=O)[O-],"InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)",MIHADVKEHAFNPG-UHFFFAOYSA-N,C3H3N3O2S,145.14,144.9945975,0.8,113,125,0,1,5,0,9,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-THIAZOLECARBOXYLIC ACID, 2-AMINO-4-(TRIFLUOROMETHYL)-, ETHYL ESTER",000344-72-9,67656,"ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate",CCOC(=O)C1=C(N=C(S1)N)C(F)(F)F,"InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)",XJRPTMORGOIMMI-UHFFFAOYSA-N,C7H7F3N2O2S,240.21,240.0180331,2.1,93.5,249,0,1,8,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-THIAZOLECARBONITRILE,001452-15-9,15069,"1,3-thiazole-4-carbonitrile",C1=C(N=CS1)C#N,InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H,PNAFRZGWUVQUKH-UHFFFAOYSA-N,C4H2N2S,110.14,109.9938693,1,64.9,104,0,0,3,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLE, 5-ETHENYL-4-METHYL-",001759-28-0,15654,"5-ethenyl-4-methyl-1,3-thiazole",CC1=C(SC=N1)C=C,"InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3",QUAMMXIRDIIGDJ-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,2.2,41.1,92,0,0,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIAZOLAMINE, 4,5-DIMETHYL-, MONOHYDROBROMIDE",007170-76-5,73237,"4,5-dimethyl-1,3-thiazol-2-amine;hydrobromide",CC1=C(SC(=N1)N)C.Br,"InChI=1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H",CATCJRCKBGAMKK-UHFFFAOYSA-N,C5H9BrN2S,209.11,207.96698,,67.2,86,0,2,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLE, 2,4,5-TRIMETHYL-",013623-11-5,61653,"2,4,5-trimethyl-1,3-thiazole",CC1=C(SC(=N1)C)C,InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3,BAMPVSWRQZNDQC-UHFFFAOYSA-N,C6H9NS,127.21,127.0455705,2.2,41.1,84,0,0,2,0,8,,166.00 to 167.00 °C. @ 717.50 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIAZOLE, 2-ETHYL-4-METHYL-",015679-12-6,27440,"2-ethyl-4-methyl-1,3-thiazole",CCC1=NC(=CS1)C,"InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3",VGRVKVGGUPOCMT-UHFFFAOYSA-N,C6H9NS,127.21,127.0455705,2.2,41.1,74,0,0,2,1,8,,161.00 to 162.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIAZOLE, 2-(2-METHYLPROPYL)-",018640-74-9,62725,"2-(2-methylpropyl)-1,3-thiazole",CC(C)CC1=NC=CS1,"InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3",CMPVUVUNJQERIT-UHFFFAOYSA-N,C7H11NS,141.24,141.0612205,2.6,41.1,83,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-THIAZOLYL)-",024295-03-2,520108,"1-(1,3-thiazol-2-yl)ethanone",CC(=O)C1=NC=CS1,"InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3",MOMFXATYAINJML-UHFFFAOYSA-N,C5H5NOS,127.17,127.009185,1,58.2,105,0,0,3,1,8,,89.00 to 91.00 °C. @ 12.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIAZOLE, 4,5-DIMETHYL-2-(2-METHYLPROPYL)-",053498-32-1,104513,"4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole",CC1=C(SC(=N1)CC(C)C)C,"InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3",NSVPHVLZAKJSGV-UHFFFAOYSA-N,C9H15NS,169.29,169.0925207,3.4,41.1,125,0,0,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazolyl)methyl)thio)e",076963-41-2,4513,"1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine",CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C,"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3",SGXXNSQHWDMGGP-UHFFFAOYSA-N,C12H21N5O2S2,331.5,331.1136673,1.6,140,349,0,2,8,9,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIAZOLAMINE, 4-METHYL-, MONOHYDROCHLORIDE",006142-15-0,80240,"4-methyl-1,3-thiazol-2-amine;hydrochloride",CC1=CSC(=N1)N.Cl,"InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H",WUMMJVLSXMYDRW-UHFFFAOYSA-N,C4H7ClN2S,150.63,150.0018471,,67.2,66,0,2,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(E)-1-(2-CHLORO-1,3-THIAZOL-5-YLMETHYL)-3-METHYL-2-NITROGUANIDINE",210880-92-5,86287519,"1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine",CN/C(=N\[N+](=O)[O-])/NCC1=CN=C(S1)Cl,"InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)",PGOOBECODWQEAB-UHFFFAOYSA-N,C6H8ClN5O2S,249.68,249.0087234,1.3,123,258,0,2,5,4,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
4-METHYL-5-THIAZOLEETHANOL,000137-00-8,1136,"2-(4-methyl-1,3-thiazol-5-yl)ethanol",CC1=C(SC=N1)CCO,"InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3",BKAWJIRCKVUVED-UHFFFAOYSA-N,C6H9NOS,143.21,143.0404851,0.8,61.4,89,0,1,3,2,9,,135.00 °C. @ 7.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLE, 2-BROMO-5-NITRO-",003034-48-8,18211,"2-bromo-5-nitro-1,3-thiazole",C1=C(SC(=N1)Br)[N+](=O)[O-],InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H,ANIJFZVZXZQFDH-UHFFFAOYSA-N,C3HBrN2O2S,209.02,207.89421,2.2,87,127,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-THIAZOLEETHANOL, 4-METHYL-, ACETATE (ESTER)",000656-53-1,61192,"2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate",CC1=C(SC=N1)CCOC(=O)C,"InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3",CRTCWNPLKVVXIX-UHFFFAOYSA-N,C8H11NO2S,185.25,185.0510498,1.4,67.4,163,0,0,4,4,12,,117.00 to 118.00 °C. @ 6.00 mm Hg,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 2-acetamido-5-nitro-",140-40-9,8798,"N-(5-nitro-1,3-thiazol-2-yl)acetamide",CC(=O)NC1=NC=C(S1)[N+](=O)[O-],"InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)",UJRRDDHEMZLWFI-UHFFFAOYSA-N,C5H5N3O3S,187.18,187.0051622,1.3,116,205,0,1,5,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 5-(2-chloroethyl)-4-methyl-",533-45-9,10783,"5-(2-chloroethyl)-4-methyl-1,3-thiazole",CC1=C(SC=N1)CCCl,"InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3",PCLITLDOTJTVDJ-UHFFFAOYSA-N,C6H8ClNS,161.65,161.0065981,2.1,41.1,89,0,0,2,2,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetoacetamide, N-2-thiazolyl-",705-87-3,12811,"3-oxo-N-(1,3-thiazol-2-yl)butanamide",CC(=O)CC(=O)NC1=NC=CS1,"InChI=1S/C7H8N2O2S/c1-5(10)4-6(11)9-7-8-2-3-12-7/h2-3H,4H2,1H3,(H,8,9,11)",IWMDVLIESVGDLX-UHFFFAOYSA-N,C7H8N2O2S,184.22,184.0306487,1.2,87.3,196,0,1,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 4,5-dimethyl-",3581-91-7,62510,"4,5-dimethyl-1,3-thiazole",CC1=C(SC=N1)C,"InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3",UWSONZCNXUSTKW-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,1.8,41.1,65,0,0,2,0,7,,157.00 to 159.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-Thiazoleethanamine,18453-07-1,87653,"2-(1,3-thiazol-2-yl)ethanamine",C1=CSC(=N1)CCN,"InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2",TWZOYAWHWDRMEZ-UHFFFAOYSA-N,C5H8N2S,128.2,128.0408194,0.3,67.2,67,0,1,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pseudourea, 2-((2-amino-4-thiazolyl)methyl)-2-thio-, dihydrochloride",20167-22-0,73232,"(2-amino-1,3-thiazol-4-yl)methyl carbamimidothioate;dihydrochloride",C1=C(N=C(S1)N)CSC(=N)N.Cl.Cl,"InChI=1S/C5H8N4S2.2ClH/c6-4(7)10-1-3-2-11-5(8)9-3;;/h2H,1H2,(H3,6,7)(H2,8,9);2*1H",WIXIDRZYQYPNGN-UHFFFAOYSA-N,C5H10Cl2N4S2,261.2,259.9723941,,142,151,0,5,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 4-methyl-",20485-41-0,209805,"4-methyl-1,3-thiazole-5-carboxylic acid",CC1=C(SC=N1)C(=O)O,"InChI=1S/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)",ZGWGSEUMABQEMD-UHFFFAOYSA-N,C5H5NO2S,143.17,143.0040996,1.2,78.4,128,0,1,4,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-Thiazolecarboxylic acid, 2-ethyl-",30709-68-3,207755,"2-ethyl-1,3-thiazole-5-carboxylic acid",CCC1=NC=C(S1)C(=O)O,"InChI=1S/C6H7NO2S/c1-2-5-7-3-4(10-5)6(8)9/h3H,2H2,1H3,(H,8,9)",BJGZHUDNXRHBKD-UHFFFAOYSA-N,C6H7NO2S,157.19,157.0197496,1.6,78.4,140,0,1,4,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 2-propyl-",30709-69-4,65773,"2-propyl-1,3-thiazole-5-carboxylic acid",CCCC1=NC=C(S1)C(=O)O,"InChI=1S/C7H9NO2S/c1-2-3-6-8-4-5(11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)",IOSZDNOGOPHEPH-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,2,78.4,151,0,1,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazoleacetic acid, 2,4-dimethyl-",34272-65-6,214799,"2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid",CC1=C(SC(=N1)C)CC(=O)O,"InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)11-5(2)8-4/h3H2,1-2H3,(H,9,10)",VVEIGFCSKPLKGZ-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,1.3,78.4,163,0,1,4,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 2-methyl-",40004-69-1,98845,"2-methyl-1,3-thiazole-5-carboxylic acid",CC1=NC=C(S1)C(=O)O,"InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)",QCXCIYPOMMIBHO-UHFFFAOYSA-N,C5H5NO2S,143.17,143.0040996,1.2,78.4,128,0,1,4,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-5-chloro-",41663-73-4,38942,"5-chloro-1,3-thiazol-2-amine",C1=C(SC(=N1)N)Cl,"InChI=1S/C3H3ClN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)",SWQWTDAWUSBMGA-UHFFFAOYSA-N,C3H3ClN2S,134.59,133.970547,1.6,67.2,70,0,1,3,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiazolamine, 5-chloro-, monohydrochloride",55506-37-1,148743,"5-chloro-1,3-thiazol-2-amine;hydrochloride",C1=C(SC(=N1)N)Cl.Cl,"InChI=1S/C3H3ClN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H",GTMGFQYVLSQTKP-UHFFFAOYSA-N,C3H4Cl2N2S,171.05,169.9472247,,67.2,70,0,2,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-Thiazolamine, 5-bromo-, monohydrobromide",61296-22-8,2723848,"5-bromo-1,3-thiazol-2-amine;hydrobromide",C1=C(SC(=N1)N)Br.Br,"InChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H",NUSVDASTCPBUIP-UHFFFAOYSA-N,C3H4Br2N2S,259.95,259.84415,,67.2,70,0,2,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazoleacetic acid, 5-((4-nitrophenyl)methyl)-4-propyl-, methyl ester",146538-08-1,21220663,"2-(1,3-thiazol-2-yl)acetic acid",C1=CSC(=N1)CC(=O)O,"InChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8)",YXTMFYBABGJSBY-UHFFFAOYSA-N,C5H5NO2S,143.17,143.0040996,0.5,78.4,118,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thiazolemethanamine, 4-methyl-alpha-phenyl-, (alpha-R)-",376629-67-3,5304077,"1,3-thiazol-5-ylmethanamine",C1=C(SC=N1)CN,"InChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2",XDNQVUAKCAPBIG-UHFFFAOYSA-N,C4H6N2S,114.17,114.0251694,-0.2,67.2,57,0,1,3,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-Thiazoleacetic acid, 2-((((8S,11R,12S)-12-((hydroxyamino)carbonyl)-11-(2-methylpropyl)-2,10-dioxo-1-oxa-3,9-diazacyclopentadec-8-yl)carbonyl)amino)-",,236262,"2-(1,3-thiazol-4-yl)acetic acid",C1=C(N=CS1)CC(=O)O,"InChI=1S/C5H5NO2S/c7-5(8)1-4-2-9-3-6-4/h2-3H,1H2,(H,7,8)",PISMJKGQNDOCGA-UHFFFAOYSA-N,C5H5NO2S,143.17,143.0040996,0.5,78.4,118,0,1,4,2,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thiazolecarboxamide, 4-amino-2-(dicyanomethylene)-N-(2,5-dihydro-2,3-dimethyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-3-phenyl-",,3018505,"1,3-thiazole-5-carboxamide",C1=C(SC=N1)C(=O)N,"InChI=1S/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)",GGNIKGLUPSHSBV-UHFFFAOYSA-N,C4H4N2OS,128.15,128.0044339,0.2,84.2,106,0,1,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolecarboxamide, N-(2-aminoethyl)-5-(3-fluorophenyl)-, hydrochloride",,445276,"1,3-thiazole-4-carboxamide",C1=C(N=CS1)C(=O)N,"InChI=1S/C4H4N2OS/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)",PQQRHWFRZHFGFM-UHFFFAOYSA-N,C4H4N2OS,128.15,128.0044339,0.2,84.2,106,0,1,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazolecarboxamide, 5-(2-(4-(6-fluoro-1H-indole-3-yl)piperidin-1-yl)ethyl)-4-(4-fluorophenyl)-",,17750911,"1,3-thiazole-2-carboxamide",C1=CSC(=N1)C(=O)N,"InChI=1S/C4H4N2OS/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)",QWEWLLNSJDTOKH-UHFFFAOYSA-N,C4H4N2OS,128.15,128.0044339,0.2,84.2,106,0,1,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazolecarboxylic acid, 2-(3-carboxy-2-butylidene)hydrazide",,2762733,"1,3-thiazole-2-carboxylic acid",C1=CSC(=N1)C(=O)O,"InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)",IJVLVRYLIMQVDD-UHFFFAOYSA-N,C4H3NO2S,129.14,128.9884495,0.8,78.4,106,0,1,4,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 3-cyclohexyl-2,3-dihydro-4-methyl-2-((2-oxo-2H-1-benzopyran-6-yl)imino)-, ethyl ester",,84494,"1,3-thiazole-5-carboxylic acid",C1=C(SC=N1)C(=O)O,"InChI=1S/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)",YZVFSQQHQPPKNX-UHFFFAOYSA-N,C4H3NO2S,129.14,128.9884495,0.8,78.4,106,0,1,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolecarboxylic acid, 2-(2,4-dihydroxyphenyl)-4,5-dihydro-, (4S)-",,304271,"1,3-thiazole-4-carboxylic acid",C1=C(N=CS1)C(=O)O,"InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)",HMVYYTRDXNKRBQ-UHFFFAOYSA-N,C4H3NO2S,129.14,128.9884495,0.8,78.4,106,0,1,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"5-Thiazolemethanol, alpha,4-dimethyl-, 1,2-ethanedisulfonate (2:1)",,2763216,"1,3-thiazol-5-ylmethanol",C1=C(SC=N1)CO,"InChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2",WKBQQWDVVHGWDB-UHFFFAOYSA-N,C4H5NOS,115.16,115.009185,0.1,61.4,59,0,1,3,1,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 3,5-DICHLORO-N-(3,4-DICHLOROPHENYL)-2-HYDROXY-",001154-59-2,14385,"3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide",C1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)Cl)Cl)O)Cl)Cl,"InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)",SJQBHPJLLIJASD-UHFFFAOYSA-N,C13H7Cl4NO2,351,350.920139,5.9,49.3,357,0,2,2,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FAST RED VIOLET LB SALT,032348-81-5,16219357,4-benzamido-5-chloro-2-methylbenzenediazonium chloride,CC1=CC(=C(C=C1[N+]#N)Cl)NC(=O)C2=CC=CC=C2.[Cl-],"InChI=1S/C14H10ClN3O.ClH/c1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;/h2-8H,1H3;1H",SARKXLKWFKNUMR-UHFFFAOYSA-N,C14H11Cl2N3O,308.2,307.0279174,,57.3,372,0,1,3,2,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 3,5-DIBROMO-N-(4-BROMOPHENYL)-2-HYDROXY-",000087-10-5,14868,"3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide",C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)Br)O)Br,"InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)",KVSKGMLNBAPGKH-UHFFFAOYSA-N,C13H8Br3NO2,449.92,448.80847,5,49.3,321,0,2,2,2,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 4-AMINO-N-(4-AMINOPHENYL)-",000785-30-8,69917,4-amino-N-(4-aminophenyl)benzamide,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,"InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)",XPAQFJJCWGSXGJ-UHFFFAOYSA-N,C13H13N3O,227.26,227.105862,1.3,81.1,253,0,3,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, N-[3-[BIS(2-HYDROXYETHYL)AMINO]PHENYL]-",043051-46-3,170727,N-[3-[bis(2-hydroxyethyl)amino]phenyl]benzamide,C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N(CCO)CCO,"InChI=1S/C17H20N2O3/c20-11-9-19(10-12-21)16-8-4-7-15(13-16)18-17(22)14-5-2-1-3-6-14/h1-8,13,20-21H,9-12H2,(H,18,22)",OYTLLQHYKCEMGB-UHFFFAOYSA-N,C17H20N2O3,300.35,300.1473925,1.4,72.8,326,0,3,4,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CLONITRALID,,14992,2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,"InChI=1S/C13H8Cl2N2O4.C2H7NO/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;3-1-2-4/h1-6,18H,(H,16,19);4H,1-3H2",XYCDHXSQODHSLG-UHFFFAOYSA-N,C15H15Cl2N3O5,388.2,387.038876,,141,414,0,4,6,3,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-(4-AMINO-5-CHLORO-2-HYDROXYPHENYL)-",005099-13-8,78779,N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)O,"InChI=1S/C13H11ClN2O2/c14-9-6-11(12(17)7-10(9)15)16-13(18)8-4-2-1-3-5-8/h1-7,17H,15H2,(H,16,18)",HYPJTFZIRMSKAK-UHFFFAOYSA-N,C13H11ClN2O2,262.69,262.0509053,2.3,75.4,295,0,3,3,2,18,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FAST BLUE BB BASE,000120-00-3,67108,"N-(4-amino-2,5-diethoxyphenyl)benzamide",CCOC1=CC(=C(C=C1N)OCC)NC(=O)C2=CC=CC=C2,"InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)",CNXZLZNEIYFZGU-UHFFFAOYSA-N,C17H20N2O3,300.35,300.1473925,2.8,73.6,345,0,2,4,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZANILIDE,000093-98-1,7168,N-phenylbenzamide,C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2,"InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)",ZVSKZLHKADLHSD-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,2.6,29.1,203,0,1,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBENZANILIDE,000782-45-6,69910,4-amino-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N,"InChI=1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)",QHWDUJPWCGEBTH-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,1.9,55.1,228,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
2-HYDROXY-N-PHENYLBENZAMIDE,000087-17-2,6872,2-hydroxy-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O,"InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)",WKEDVNSFRWHDNR-UHFFFAOYSA-N,C13H11NO2,213.23,213.0789786,3.3,49.3,236,0,2,2,2,16,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 3-AMINO-4-METHOXY-N-PHENYL-",000120-35-4,8426,3-amino-4-methoxy-N-phenylbenzamide,COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N,"InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)",LHMQDVIHBXWNII-UHFFFAOYSA-N,C14H14N2O2,242.27,242.1055277,2,64.4,277,0,2,3,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, N-(4-AMINO-2,5-DIMETHOXYPHENYL)-",006268-05-9,80442,"N-(4-amino-2,5-dimethoxyphenyl)benzamide",COC1=CC(=C(C=C1N)OC)NC(=O)C2=CC=CC=C2,"InChI=1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)",DDRCIGNRLHTTIW-UHFFFAOYSA-N,C15H16N2O3,272.3,272.1160924,2,73.6,318,0,2,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, N-(3-AMINOPHENYL)-",016091-26-2,72896,N-(3-aminophenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N,"InChI=1S/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)",IRFCTHNJIWUUJZ-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,1.9,55.1,236,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, N-(4-AMINOPHENYL)-",017625-83-1,87196,N-(4-aminophenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N,"InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",GTTFJYUWPUKXJH-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,1.9,55.1,228,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-METHOXY-3-NITRO-N-PHENYL-",000097-32-5,7331,4-methoxy-3-nitro-N-phenylbenzamide,COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-],"InChI=1S/C14H12N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)",YKOCPBMVMBUTAX-UHFFFAOYSA-N,C14H12N2O4,272.26,272.0797069,2.6,84.2,350,0,1,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-(2-NITROPHENYL)-",000728-90-5,69769,N-(2-nitrophenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-],"InChI=1S/C13H10N2O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)",ARMSTQBMUHJXHU-UHFFFAOYSA-N,C13H10N2O3,242.23,242.0691422,2.7,74.9,308,0,1,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 4-CHLORO-3-NITRO-N-PHENYL-",041614-16-8,96073,4-chloro-3-nitro-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-],"InChI=1S/C13H9ClN2O3/c14-11-7-6-9(8-12(11)16(18)19)13(17)15-10-4-2-1-3-5-10/h1-8H,(H,15,17)",MPSDMWLZVDJFGW-UHFFFAOYSA-N,C13H9ClN2O3,276.67,276.0301698,3.6,74.9,339,0,1,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CHOLERA TOXIN B SUBUNIT,131096-89-4,729859,N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide,CCOC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F,"InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)",YDXZSNHARVUYNM-UHFFFAOYSA-N,C16H13ClF3NO2,343.73,343.0586908,4.6,38.3,405,0,1,5,4,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylanilide, 2',5-dichloro-4'-nitro-",50-65-7,4477,5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",RJMUSRYZPJIFPJ-UHFFFAOYSA-N,C13H8Cl2N2O4,327.12,325.9861121,4,95.2,404,0,2,4,2,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalanilic acid, 3'-methyl-",85-72-3,6821,2-[(3-methylphenyl)carbamoyl]benzoic acid,CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)",AZPJXONNBLOZFE-UHFFFAOYSA-N,C15H13NO3,255.27,255.0895433,2.6,66.4,342,0,2,3,3,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylanilide, 4'-hydroxy-",526-18-1,4602,2-hydroxy-N-(4-hydroxyphenyl)benzamide,C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O,"InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)",LGCMKPRGGJRYGM-UHFFFAOYSA-N,C13H11NO3,229.23,229.0738932,2.9,69.6,261,0,3,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-benzamido-, ethyl ester",736-40-3,12914,ethyl 4-benzamidobenzoate,CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2,"InChI=1S/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)",XFPYCMXNXPPZRV-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,2.8,55.4,329,0,1,3,5,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Benzotoluidide, 3,4,5-trimethoxy-",740-12-5,12924,"3,4,5-trimethoxy-N-(2-methylphenyl)benzamide",CC1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC,"InChI=1S/C17H19NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)",BGNIILXYCHNOSN-UHFFFAOYSA-N,C17H19NO4,301.34,301.1314081,3,56.8,349,0,1,4,5,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2',6'-Benzoxylidide, 4-amino-",787-93-9,13086,"4-amino-N-(2,6-dimethylphenyl)benzamide",CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)N,"InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)",HZIWGOAXOBPQGY-UHFFFAOYSA-N,C15H16N2O,240.3,240.1262631,2.2,55.1,274,0,2,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzanilide, 2,2'-dihydroxy-3,3',5,5',6-pentachloro-",2277-92-1,16779,"2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide",C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl,"InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)",JYWIYHUXVMAGLG-UHFFFAOYSA-N,C13H6Cl5NO3,401.4,400.876081,5.7,69.6,415,0,3,3,2,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"Benzamide, N-(4-chlorophenyl)-",2866-82-2,96646,N-(4-chlorophenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl,"InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)",PJFPJLMLHHTWDZ-UHFFFAOYSA-N,C13H10ClNO,231.68,231.0450916,3.2,29.1,230,0,1,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2-amino-N-phenyl-",4424-17-3,78142,2-amino-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N,"InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)",FDPVTENMNDHFNK-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,2.9,55.1,236,0,2,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 5-chloro-2-hydroxy-N-phenyl-",4638-48-6,14869,5-chloro-2-hydroxy-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O,"InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)",KGYNGVVNFRUOOZ-UHFFFAOYSA-N,C13H10ClNO2,247.67,247.0400063,3.9,49.3,266,0,2,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-((phenylamino)carbonyl)-",4727-29-1,78458,2-(phenylcarbamoyl)benzoic acid,C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C14H11NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-9H,(H,15,16)(H,17,18)",DSUPUOGOCIFZBG-UHFFFAOYSA-N,C14H11NO3,241.24,241.0738932,2.6,66.4,310,0,2,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(3-bromophenyl)-",10286-85-8,202396,N-(3-bromophenyl)benzamide,C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Br,"InChI=1S/C13H10BrNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,(H,15,16)",FYUPCXSVODCKMV-UHFFFAOYSA-N,C13H10BrNO,276.13,274.99458,3.3,29.1,238,0,1,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-Salicyloxylidide, 4-chloro-5-sulfamoyl-",14293-44-8,26618,"4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide",CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N,"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)",MTZBBNMLMNBNJL-UHFFFAOYSA-N,C15H15ClN2O4S,354.8,354.0441058,2.9,118,526,0,3,5,3,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 3-amino-N-phenyl-",14315-16-3,84347,3-amino-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N,"InChI=1S/C13H12N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)",KPSPULPPMWHXGE-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,1.9,55.1,236,0,2,2,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(4-ethoxyphenyl)-",15437-14-6,203878,N-(4-ethoxyphenyl)benzamide,CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2,"InChI=1S/C15H15NO2/c1-2-18-14-10-8-13(9-11-14)16-15(17)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,16,17)",LOKFUBTWUGZRLA-UHFFFAOYSA-N,C15H15NO2,241.28,241.1102787,3,38.3,253,0,1,2,4,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalanilic acid, 3'-(trifluoromethyl)-",16053-36-4,99467,2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid,C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O,"InChI=1S/C15H10F3NO3/c16-15(17,18)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(21)22/h1-8H,(H,19,20)(H,21,22)",FFMRPOSNJLCIBB-UHFFFAOYSA-N,C15H10F3NO3,309.24,309.0612777,3.2,66.4,425,0,2,6,3,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phthalanilic acid, 2',3'-dimethyl-",17332-43-3,98770,"2-[(2,3-dimethylphenyl)carbamoyl]benzoic acid",CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O)C,"InChI=1S/C16H15NO3/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)",NANJTVUHWVLWBC-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,2.5,66.4,369,0,2,3,3,20,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalamic acid, N-(p-fluorophenyl)-",19336-77-7,97259,2-[(4-fluorophenyl)carbamoyl]benzoic acid,C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)C(=O)O,"InChI=1S/C14H10FNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)",FZGQSGHYCVVQEA-UHFFFAOYSA-N,C14H10FNO3,259.23,259.0644713,2.7,66.4,340,0,2,4,3,19,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalanilic acid, 2',6'-dimethyl-",19368-18-4,71895,"2-[(2,6-dimethylphenyl)carbamoyl]benzoic acid",CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)",LLECMGGNFBKPRH-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,3,66.4,359,0,2,3,3,20,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(N-benzoyl-N-(3,4-dichlorophenyl))amino-, ethyl ester, (+-)-",22212-55-1,31068,"ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate",CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2,"InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3",SLCGUGMPSUYJAY-UHFFFAOYSA-N,C18H17Cl2NO3,366.2,365.0585488,4.1,46.6,440,0,0,3,6,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 2-chloro-5-nitro-N-phenyl-",22978-25-2,644213,2-chloro-5-nitro-N-phenylbenzamide,C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl,"InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)",DNTSIBUQMRRYIU-UHFFFAOYSA-N,C13H9ClN2O3,276.67,276.0301698,3.3,74.9,339,0,1,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, p-(o-(octyloxy)benzamido)benzoate",26095-59-0,72092,diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide,CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-],"InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H",VWZPIJGXYWHBOW-UHFFFAOYSA-N,C29H43BrN2O4,563.6,562.24062,,64.6,599,0,1,5,17,36,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-(p-chloro-N-(p-methoxyphenyl)benzamido)-",30544-61-7,35378,4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acid,COC1=CC=C(C=C1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)",VUPBWNXFSDRWJE-UHFFFAOYSA-N,C18H18ClNO4,347.8,347.0924357,2.7,66.8,415,0,1,4,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluanilide, 4'-nitro-",33667-88-8,99257,4-methyl-N-(4-nitrophenyl)benzamide,CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)14(17)15-12-6-8-13(9-7-12)16(18)19/h2-9H,1H3,(H,15,17)",ABXKGSXNOJYBBX-UHFFFAOYSA-N,C14H12N2O3,256.26,256.0847923,2.8,74.9,324,0,1,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester",52756-22-6,40520,propan-2-yl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate,CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2,"InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3",IKVXBIIHQGXQRQ-UHFFFAOYSA-N,C19H19ClFNO3,363.8,363.1037493,4,46.6,468,0,0,4,6,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(N-(3-chloro-4-fluorophenyl)benzamido)-, methyl ester",52756-25-9,40521,methyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate,CC(C(=O)OC)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2,"InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3",RBNIGDFIUWJJEV-UHFFFAOYSA-N,C17H15ClFNO3,335.8,335.0724492,3.2,46.6,428,0,0,4,5,23,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(3-(1-methylethoxy)phenyl)-2-(trifluoromethyl)-",66332-96-5,47898,N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide,CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F,"InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)",PTCGDEVVHUXTMP-UHFFFAOYSA-N,C17H16F3NO2,323.31,323.1133132,3.7,38.3,398,0,1,5,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-(acetylamino)-N-(2-aminophenyl)-",112522-64-2,2746,4-acetamido-N-(2-aminophenyl)benzamide,CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N,"InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)",VAZAPHZUAVEOMC-UHFFFAOYSA-N,C15H15N3O2,269.3,269.1164267,1.3,84.2,351,0,3,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)-, diethyl ester",133208-93-2,131601,N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide,CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)OCC,"InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)",KPRTURMJVWXURQ-UHFFFAOYSA-N,C19H20BrN2O4P,451.2,450.03441,3.5,88.4,576,0,1,5,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzenedicarboxamide, N(sup 2)-(1,1-dimethyl-2-(methylsulfonyl)ethyl)-3-iodo-N(sup 1)-(2-methyl-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)phenyl)-",272451-65-7,11193251,"1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide",CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C,"InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)",ZGNITFSDLCMLGI-UHFFFAOYSA-N,C23H22F7IN2O4S,682.4,682.02332,5.3,101,968,0,2,11,7,38,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(3-(Trifluoromethyl)phenyl)benzamide, 2-chloro-5-(5-(6-chloro-3-(ethylsulfonyl)pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-",,280160,N-[3-(trifluoromethyl)phenyl]benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C14H10F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)",RGEVOBUFCUKOAC-UHFFFAOYSA-N,C14H10F3NO,265.23,265.0714484,4.2,29.1,310,0,1,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
TETRAHYDROPYRAN,000142-68-7,8894,oxane,C1CCOCC1,InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,DHXVGJBLRPWPCS-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.9,9.2,30,0,0,1,0,6,-4.0 °F (-20 °C) CC,88 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN, 2-ETHENYLTETRAHYDRO-2,6,6-TRIMETHYL-",007392-19-0,522514,"2-ethenyl-2,6,6-trimethyloxane",CC1(CCCC(O1)(C)C=C)C,"InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3",NETOHYFTCONTDT-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.4,9.2,160,0,0,1,1,11,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYLPROPYL)-",013477-62-8,114530,4-methyl-2-(2-methylpropyl)oxane,CC1CCOC(C1)CC(C)C,"InChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3",LETLQGKRPMMKKC-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.1,9.2,109,0,0,1,2,11,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
AURANOFIN,034031-32-8,16667669,"gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane",CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+],"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",AUJRCFUBUPVWSZ-XTZHGVARSA-M,C20H34AuO9PS,678.5,678.132686,,115,532,0,0,10,12,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ISOPROPYL-BETA-D-THIOGALACTOPYRANOSIDE,000367-93-1,656894,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol",CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,"InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1",BPHPUYQFMNQIOC-NXRLNHOXSA-N,C9H18O5S,238.3,238.0874948,-0.5,115,201,0,4,6,3,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GLUCOSE PENTAACETATE,000604-68-2,2723636,"[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1",LPTITAGPBXDDGR-LJIZCISZSA-N,C16H22O11,390.34,390.1162115,0.6,141,599,0,0,11,11,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
D-GLUCOSE-6-PHOSPHATE BARIUM SALT HYDRATE,058823-95-3,100858,"barium(2+);[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate",C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)([O-])[O-].[Ba+2],"InChI=1S/C6H13O9P.Ba/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/t2-,3-,4+,5-,6-;/m1./s1",FFNFQIZRCUHVAP-WYRLRVFGSA-L,C6H11BaO9P,395.45,395.919316,,163,266,0,4,9,2,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PSYCHOSINE,002238-90-6,5280458,"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1",HHJTWTPUPVQKNA-PIIMIWFASA-N,C24H47NO7,461.6,461.3352528,3.7,146,479,0,6,8,18,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL 2-AMINO-3-(OXAN-4-YL)PROPANOATE HYDROCHLORIDE,1191997-33-7,66895233,methyl 2-amino-3-(oxan-4-yl)propanoate;hydrochloride,COC(=O)C(CC1CCOCC1)N.Cl,"InChI=1S/C9H17NO3.ClH/c1-12-9(11)8(10)6-7-2-4-13-5-3-7;/h7-8H,2-6,10H2,1H3;1H",WCWXJCRWBPDXBR-UHFFFAOYSA-N,C9H18ClNO3,223.7,223.0975211,,61.6,166,0,2,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-",000554-35-8,11128,"2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile",CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",QLTCHMYAEJEXBT-ZEBDFXRSSA-N,C10H17NO6,247.24,247.1055873,-1.8,123,311,0,4,7,3,17,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN, 2-[(8-BROMOOCTYL)OXY]TETRAHYDRO-",050816-20-1,170916,2-(8-bromooctoxy)oxane,C1CCOC(C1)OCCCCCCCCBr,"InChI=1S/C13H25BrO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2",JCRBYQZIJFWGOO-UHFFFAOYSA-N,C13H25BrO2,293.24,292.10379,4.2,18.5,153,0,0,2,9,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
STREPTOZOTOCIN,018883-66-4,29327,"1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea",CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",ZSJLQEPLLKMAKR-GKHCUFPYSA-N,C8H15N3O7,265.22,265.0909998,-1.4,152,315,0,5,8,2,18,,,0,1,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
TETRAHYDRO-4H-PYRAN-4-OL,002081-44-9,74956,oxan-4-ol,C1COCCC1O,"InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2",LMYJGUNNJIDROI-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,29.5,48,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN,017739-45-6,86621,2-(2-bromoethoxy)oxane,C1CCOC(C1)OCCBr,"InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2",GCUOLJOTJRUDIZ-UHFFFAOYSA-N,C7H13BrO2,209.08,208.00989,1.7,18.5,87,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETOBROMO-A-D-GLUCOSE,000572-09-8,101776,"[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1",CYAYKKUWALRRPA-RGDJUOJXSA-N,C14H19BrO9,411.2,410.02124,1.5,114,506,0,0,9,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTYL BETA-D-GLUCOPYRANOSIDE,029836-26-8,62852,"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol",CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1",HEGSGKPQLMEBJL-RKQHYHRCSA-N,C14H28O6,292.37,292.1885886,1.4,99.4,250,0,4,6,9,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
B-D-GALACTOSE PENTAACETATE,004163-60-4,94752,"[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1",LPTITAGPBXDDGR-LYYZXLFJSA-N,C16H22O11,390.34,390.1162115,0.6,141,599,0,0,11,11,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-GLUCURONIC ACID,006556-12-3,94715,"(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",[C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1",AEMOLEFTQBMNLQ-AQKNRBDQSA-N,C6H10O7,194.14,194.0426527,-2.3,127,205,0,5,7,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL-B-D-THIOGALACTOSIDE,000155-30-6,10036019,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol",CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,"InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1",LZFNFLTVAMOOPJ-PZRMXXKTSA-N,C7H14O5S,210.25,210.0561947,-1.3,115,167,0,4,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SINIGRIN,003952-98-5,6911854,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate",C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1",PHZOWSSBXJXFOR-PTGZALFTSA-N,C10H17NO9S2,359.4,359.0344735,-1.1,200,503,0,5,11,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
METHYL-BETA-D-XYLOPYRANOSIDE,000612-05-5,11768891,"(2R,3R,4S,5R)-2-methoxyoxane-3,4,5-triol",CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O,"InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1",ZBDGHWFPLXXWRD-JGWLITMVSA-N,C6H12O5,164.16,164.0684735,-2,79.2,128,0,3,5,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-D-GLUCOSAMINE 6-PHOSPHATE,102029-88-9,16218908,,CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O.[Na],"InChI=1S/C8H16NO9P.Na/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16;/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16);",VGBNZVULWAHGJF-UHFFFAOYSA-N,C8H16NNaO9P,324.18,324.0460374,,166,371,0,6,9,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NONYL BETA-D-GLUCOPYRANOSIDE,069984-73-2,155448,"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol",CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1",QFAPUKLCALRPLH-UXXRCYHCSA-N,C15H30O6,306.39,306.2042387,1.9,99.4,263,0,4,6,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA-D-GLUCOPRYANOSIDE, METHYL, 6-(HEPTYLCARBAMATE)",115457-83-5,2733955,"[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate",CCCCCCCNC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O,"InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12+,13-,14+/m1/s1",XPIVOYOQXKNYHA-RGDJUOJXSA-N,C15H29NO7,335.39,335.1944023,0.7,117,342,0,4,7,10,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ETHANOL,002162-31-4,4166833,2-(oxan-2-yloxy)ethanol,C1CCOC(C1)OCCO,"InChI=1S/C7H14O3/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2",XDBZJXRPEKFIFR-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.3,38.7,84,0,1,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL BETA-D-GALACTOPYRANOSIDE,001824-94-8,94214,"(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol",CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1",HOVAGTYPODGVJG-VOQCIKJUSA-N,C7H14O6,194.18,194.0790382,-2.2,99.4,163,0,4,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-(TETRAHYDRO-2H-PYRAN-2-YL)HYDROXYLAMINE,006723-30-4,5142091,O-(oxan-2-yl)hydroxylamine,C1CCOC(C1)ON,"InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2",NLXXVSKHVGDQAT-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.2,44.5,67,0,1,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYL-1-PROPENYL)-, (2S-CIS)-",003033-23-6,1712087,"(2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane",C[C@@H]1CCO[C@@H](C1)C=C(C)C,"InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1",CZCBTSFUTPZVKJ-NXEZZACHSA-N,C10H18O,154.25,154.1357652,2.9,9.2,145,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"2H-PYRAN-3-OL, 6-ETHENYLTETRAHYDRO-2,2,6-TRIMETHYL-",014049-11-7,26396,"6-ethenyl-2,2,6-trimethyloxan-3-ol",CC1(C(CCC(O1)(C)C=C)O)C,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3",BCTBAGTXFYWYMW-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,1.4,29.5,186,0,1,2,1,12,,223.00 to 224.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYL-1-PROPENYL)-",016409-43-1,27866,4-methyl-2-(2-methylprop-1-enyl)oxane,CC1CCOC(C1)C=C(C)C,"InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3",CZCBTSFUTPZVKJ-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,9.2,145,0,0,1,1,11,,86.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
1-5-ANHYDRO-D-SORBITOL,000154-58-5,64960,"(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol",C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1",MPCAJMNYNOGXPB-SLPGGIOYSA-N,C6H12O5,164.16,164.0684735,-2.1,90.2,128,0,4,5,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Gold, (1-thio-D-glucopyranosato)-",012192-57-3,6104,"gold(1+);(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate",C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[S-])O)O)O)O.[Au+],"InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1",XHVAWZZCDCWGBK-WYRLRVFGSA-M,C6H11AuO5S,392.18,391.99929,,91.2,160,0,4,6,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
A-D-MANNOSEPENTAACETATE,004163-65-9,11741089,"[(2R,3R,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16+/m1/s1",LPTITAGPBXDDGR-OWYFMNJBSA-N,C16H22O11,390.34,390.1162115,0.6,141,599,0,0,11,11,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
N-ACETYL-D-GALACTOSAMINE,014215-68-0,84265,"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",OVRNDRQMDRJTHS-CBQIKETKSA-N,C8H15NO6,221.21,221.0899372,-1.7,119,235,0,5,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(-)-5-ACETYLAMIDO-3,5-DIDEOXY-D-GLYCERO-D-GALACTO-2-NONULOSONIC ACID",000131-48-6,445063,"(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1",SQVRNKJHWKZAKO-PFQGKNLYSA-N,C11H19NO9,309.27,309.1059812,-3.5,177,403,0,7,9,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN-4-OL, TETRAHYDRO-3-PENTYL-, ACETATE",018871-14-2,86799,(3-pentyloxan-4-yl) acetate,CCCCCC1COCCC1OC(=O)C,"InChI=1S/C12H22O3/c1-3-4-5-6-11-9-14-8-7-12(11)15-10(2)13/h11-12H,3-9H2,1-2H3",VSRVCSJJKWDZSH-UHFFFAOYSA-N,C12H22O3,214.3,214.1568946,2.9,35.5,191,0,0,3,6,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDRO-4-METHYL-2-(2-METHYLPROPYL)-2H-PYRAN-4-OL,063500-71-0,3017432,4-methyl-2-(2-methylpropyl)oxan-4-ol,CC(C)CC1CC(CCO1)(C)O,"InChI=1S/C10H20O2/c1-8(2)6-9-7-10(3,11)4-5-12-9/h8-9,11H,4-7H2,1-3H3",YVSNOTITPICPTB-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,1.9,29.5,145,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DECYL GLUCOSIDE,054549-25-6,3033856,"(3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol",CCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16?/m1/s1",JDRSMPFHFNXQRB-IWQYDBTJSA-N,C16H32O6,320.42,320.2198887,2.4,99.4,275,0,4,6,11,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BETA-GALACTOSIDASE,009031-11-2,439353,"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK-FPRJBGLDSA-N,C6H12O6,180.16,180.0633881,-2.6,110,151,0,5,6,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
GLUCOSE OXIDASE,009001-37-0,64689,"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK-VFUOTHLCSA-N,C6H12O6,180.16,180.0633881,-2.6,110,151,0,5,6,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
PULLULANASE,009075-68-7,167312537,"[18-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadeca-4,8,12-trien-2-yl]amino]-18-oxooctadeca-6,8-dienyl] octadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCC=CC=CCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CCC)O,"InChI=1S/C57H97NO10/c1-3-5-7-9-11-13-15-16-18-22-25-29-33-37-41-45-53(62)66-46-42-38-34-30-26-23-20-17-19-21-24-28-32-36-40-44-52(61)58-49(48-67-57-56(65)55(64)54(63)51(47-59)68-57)50(60)43-39-35-31-27-14-12-10-8-6-4-2/h6,8,11,13-14,16-18,20,23,26-27,39,43,49-51,54-57,59-60,63-65H,3-5,7,9-10,12,15,19,21-22,24-25,28-38,40-42,44-48H2,1-2H3,(H,58,61)",YIWADXQWNRTSFS-UHFFFAOYSA-N,C57H97NO10,956.4,955.7112483,13.3,175,1410,0,6,10,45,68,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"2H-PYRAN-4-OL, 3-BUTYLTETRAHYDRO-5-METHYL-, ACETATE",038285-49-3,161960,(3-butyl-5-methyloxan-4-yl) acetate,CCCCC1COCC(C1OC(=O)C)C,"InChI=1S/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3",XWNKVSFNBVIKJB-UHFFFAOYSA-N,C12H22O3,214.3,214.1568946,2.8,35.5,203,0,0,3,5,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-HYDRO-.OMEGA.-HYDROXY-, ETHER WITH METHYL D-",053026-67-8,3085029,"2-[2-[[(2R,3R,4S,5R)-3,4,5-tris[2-(2-hydroxyethoxy)ethoxy]-6-methoxyoxan-2-yl]methoxy]ethoxy]ethanol",COC1[C@@H]([C@H]([C@@H]([C@H](O1)COCCOCCO)OCCOCCO)OCCOCCO)OCCOCCO,"InChI=1S/C23H46O14/c1-28-23-22(36-17-14-32-9-5-27)21(35-16-13-31-8-4-26)20(34-15-12-30-7-3-25)19(37-23)18-33-11-10-29-6-2-24/h19-27H,2-18H2,1H3/t19-,20-,21+,22-,23?/m1/s1",AOTQEWQIODBEAU-HZQGQDIUSA-N,C23H46O14,546.6,546.2887561,-3.8,173,488,0,4,14,26,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyran-2-methanol, tetrahydro-",100-72-1,7524,oxan-2-ylmethanol,C1CCOC(C1)CO,"InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2",ROTONRWJLXYJBD-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.3,29.5,63,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranose, 1-thio-, 1-((3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)",585-95-5,5281139,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate",C=C[C@@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,"InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1",MYHSVHWQEVDFQT-ILPXZUKPSA-N,C11H19NO10S2,389.4,389.0450382,-1.9,220,547,0,6,12,8,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Pyran, 2-methoxy-tetrahydro-",6581-66-4,23057,2-methoxyoxane,COC1CCCCO1,"InChI=1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3",XTDKZSUYCXHXJM-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.9,18.5,63,0,0,2,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Pyran, 2-aminomethyltetrahydro-",6628-83-7,97924,oxan-2-ylmethanamine,C1CCOC(C1)CN,"InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2",NYGCBQKDTGBHSC-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0,35.3,65,0,1,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)",21414-41-5,9548634,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate",CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,"InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1",GMMLNKINDDUDCF-RFOBZYEESA-N,C12H23NO10S3,437.5,437.0484095,-2.1,236,593,0,5,13,10,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
Ferrum,53858-86-9,76960246,"iron(3+);(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;trihydroxide",C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O.[OH-].[OH-].[OH-].[Fe+3],"InChI=1S/C12H22O11.Fe.3H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;;;;/h1,4-12,14-21H,2-3H2;;3*1H2/q;+3;;;/p-3/t4-,5+,6+,7+,8+,9+,10-,11+,12-;;;;/m0..../s1",PKMVWNYIYVZXIQ-MPAYLTKRSA-K,C12H25FeO14,449.16,449.059366,,200,367,0,11,14,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOPROPANE,000075-19-4,6351,cyclopropane,C1CC1,InChI=1S/C3H6/c1-2-3-1/h1-3H2,LVZWSLJZHVFIQJ-UHFFFAOYSA-N,C3H6,42.08,42.04695019,1.6,0,4,0,0,0,0,3,,"-27.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXAFLUOROCYCLOPROPANE,000931-91-9,136733,"1,1,2,2,3,3-hexafluorocyclopropane",C1(C(C1(F)F)(F)F)(F)F,"InChI=1S/C3F6/c4-1(5)2(6,7)3(1,8)9",GQUXQQYWQKRCPL-UHFFFAOYSA-N,C3F6,150.02,149.990419,2,0,106,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOMETHYLCYCLOPROPANE,007051-34-5,81503,bromomethylcyclopropane,C1CC1CBr,"InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2",AEILLAXRDHDKDY-UHFFFAOYSA-N,C4H7Br,135,133.97311,1.7,0,30,0,0,0,1,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOPROPANAMINE,000765-30-0,69828,cyclopropanamine,C1CC1N,"InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2",HTJDQJBWANPRPF-UHFFFAOYSA-N,C3H7N,57.09,57.05784923,0.1,26,22,0,1,1,0,4,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
ETHYNYL CYCLOPROPANE,006746-94-7,138823,ethynylcyclopropane,C#CC1CC1,"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2",NPTDXPDGUHAFKC-UHFFFAOYSA-N,C5H6,66.1,66.04695019,1.5,0,69,0,0,0,0,5,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
CYCLOPROPANEMETHANAMINE,002516-47-4,75646,cyclopropylmethanamine,C1CC1CN,"InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2",IGSKHXTUVXSOMB-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0,26,30,0,1,1,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, METHYL ESTER",002868-37-3,76122,methyl cyclopropanecarboxylate,COC(=O)C1CC1,"InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3",PKAHQJNJPDVTDP-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.6,26.3,84,0,0,2,2,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANE, BROMO-",004333-56-6,78037,bromocyclopropane,C1CC1Br,"InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2",LKXYJYDRLBPHRS-UHFFFAOYSA-N,C3H5Br,120.98,119.95746,1.5,0,22,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOPROPANECARBONYL CHLORIDE,004023-34-1,77637,cyclopropanecarbonyl chloride,C1CC1C(=O)Cl,"InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2",ZOOSILUVXHVRJE-UHFFFAOYSA-N,C4H5ClO,104.53,104.0028925,1.2,17.1,75,0,0,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,1
CYCLOPROPANEMETHANOL,002516-33-8,75644,cyclopropylmethanol,C1CC1CO,"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",GUDMZGLFZNLYEY-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.3,20.2,30,0,1,1,1,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0
CYCLOPROPANECARBONITRILE,005500-21-0,79637,cyclopropanecarbonitrile,C1CC1C#N,"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2",AUQDITHEDVOTCU-UHFFFAOYSA-N,C4H5N,67.09,67.04219916,0.3,23.8,72,0,0,1,0,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANEMETHANOL, .ALPHA.-METHYL-",000765-42-4,79104,1-cyclopropylethanol,CC(C1CC1)O,"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3",DKKVKJZXOBFLRY-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.7,20.2,47,0,1,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANEMETHANAMINE, N-PROPYL-",026389-60-6,117787,N-(cyclopropylmethyl)propan-1-amine,CCCNCC1CC1,"InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3",MAVLRJDQJZJTQP-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.4,12,57,0,1,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANEMETHANOL, 2-ETHYL-, TRANS-",037882-55-6,169980,(2-ethylcyclopropyl)methanol,CCC1CC1CO,"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3",BGKKZLRPGJYFIP-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,20.2,61,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANE, CHLORO-",007393-45-5,81879,chlorocyclopropane,C1CC1Cl,"InChI=1S/C3H5Cl/c4-3-1-2-3/h3H,1-2H2",VEZNCHDBSQWUHQ-UHFFFAOYSA-N,C3H5Cl,76.52,76.0079779,1.4,0,22,0,0,0,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANECARBONYL CHLORIDE, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-",052314-67-7,94551,"3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride",CC1(C(C1C(=O)Cl)C=C(Cl)Cl)C,"InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3",CHLAOFANYRDCPD-UHFFFAOYSA-N,C8H9Cl3O,227.5,225.971898,4.3,17.1,241,0,0,1,2,12,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,1
CYCLOPROPANECARBOXYLIC ACID,001759-53-1,15655,cyclopropanecarboxylic acid,C1CC1C(=O)O,"InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)",YMGUBTXCNDTFJI-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.6,37.3,73,0,1,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOPROPYLMETHANESULFONYL CHLORIDE,114132-26-2,14106996,cyclopropylmethanesulfonyl chloride,C1CC1CS(=O)(=O)Cl,"InChI=1S/C4H7ClO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2",XJPMSKSCGIBWPC-UHFFFAOYSA-N,C4H7ClO2S,154.62,153.9855283,1.1,42.5,163,0,0,2,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-,(1S-CIS)-",026771-06-2,20755,"trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid",CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)O)C,"InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m1/s1",XLOPRKKSAJMMEW-HTQZYQBOSA-N,C10H16O2,168.23,168.1150297,3.4,37.3,234,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CYCLOPROPANECARBOXAMIDE,006228-73-5,80376,cyclopropanecarboxamide,C1CC1C(=O)N,"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",AIMMVWOEOZMVMS-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.4,43.1,75,0,1,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE,042303-42-4,386203,ethyl 1-aminocyclopropane-1-carboxylate;hydrochloride,CCOC(=O)C1(CC1)N.Cl,"InChI=1S/C6H11NO2.ClH/c1-2-9-5(8)6(7)3-4-6;/h2-4,7H2,1H3;1H",XFNUTZWASODOQK-UHFFFAOYSA-N,C6H12ClNO2,165.62,165.0556563,,52.3,129,0,2,3,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CYCLOPROPANESULFONYL CHLORIDE,139631-62-2,2760919,cyclopropanesulfonyl chloride,C1CC1S(=O)(=O)Cl,"InChI=1S/C3H5ClO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2",PFWWSGFPICCWGU-UHFFFAOYSA-N,C3H5ClO2S,140.59,139.9698783,0.9,42.5,150,0,0,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-,METHYL ESTE",059897-94-8,94591,"methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OC)C=C(Cl)Cl)C,"InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3",QJOOIMSFFIUFKX-UHFFFAOYSA-N,C9H12Cl2O2,223.09,222.021435,3.6,26.3,254,0,0,2,3,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
1-AMINO-1-CYCLOPROPANECARBOXYLIC ACID HYDROCHLORIDE,068781-13-5,11957445,1-aminocyclopropane-1-carboxylic acid;hydrochloride,C1CC1(C(=O)O)N.Cl,"InChI=1S/C4H7NO2.ClH/c5-4(1-2-4)3(6)7;/h1-2,5H2,(H,6,7);1H",WTZRHZRMLYNBRM-UHFFFAOYSA-N,C4H8ClNO2,137.56,137.0243562,,63.3,106,0,3,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID,022059-21-8,535,1-aminocyclopropane-1-carboxylic acid,C1CC1(C(=O)O)N,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",PAJPWUMXBYXFCZ-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,-2.8,63.3,106,0,2,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-,(1R-TRANS)-",004638-92-0,16747,"cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid",CC(=C[C@@H]1[C@H](C1(C)C)C(=O)O)C,"InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1",XLOPRKKSAJMMEW-SFYZADRCSA-N,C10H16O2,168.23,168.1150297,3.4,37.3,234,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-",055701-05-8,91658,"3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid",CC1(C(C1C(=O)O)C=C(Cl)Cl)C,"InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)",LLMLSUSAKZVFOA-UHFFFAOYSA-N,C8H10Cl2O2,209.07,208.0057849,3.3,37.3,241,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-,ETHYL ESTER",000097-41-6,7334,"ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CCOC(=O)C1C(C1(C)C)C=C(C)C,"InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3",VIMXTGUGWLAOFZ-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,4.1,26.3,259,0,0,2,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-,ETHYL ESTER",059609-49-3,101094,"ethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CCOC(=O)C1C(C1(C)C)C=C(Cl)Cl,"InChI=1S/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3",QPTWKDNRYCGMJM-UHFFFAOYSA-N,C10H14Cl2O2,237.12,236.0370851,4,26.3,267,0,0,2,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-cyclopropyl-",765-43-5,13004,1-cyclopropylethanone,CC(=O)C1CC1,"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",HVCFCNAITDHQFX-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.5,17.1,72,0,0,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
Cyclopropanecarboxaldehyde,1489-69-6,123114,cyclopropanecarbaldehyde,C1CC1C=O,"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2",JMYVMOUINOAAPA-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.2,17.1,45,0,0,1,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3-Butyn-2-ol, 2-cyclopropyl-",2/3/78,199539,2-cyclopropylbut-3-yn-2-ol,CC(C#C)(C1CC1)O,"InChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3",TXBLNDNWPNEHKV-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,0.6,20.2,138,0,1,1,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropanecarbonyl chloride, 2,2-dimethyl-3-(2-methylprop-1-enyl)-, (1R-trans)-",4489-14-9,10867076,"cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride",CC(=C[C@@H]1[C@H](C1(C)C)C(=O)Cl)C,"InChI=1S/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3/t7-,8+/m1/s1",VNTCVNLNEOVBEE-SFYZADRCSA-N,C10H15ClO,186.68,186.0811428,4.4,17.1,236,0,0,1,2,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, methyl ester",5460-63-9,91127,"methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OC)C,"InChI=1S/C11H18O2/c1-7(2)6-8-9(10(12)13-5)11(8,3)4/h6,8-9H,1-5H3",ITNHSNMLIFFVQC-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,3.8,26.3,247,0,0,2,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cyclopropane, pentachloro-",6262-51-7,22631,"1,1,2,2,3-pentachlorocyclopropane",C1(C(C1(Cl)Cl)(Cl)Cl)Cl,"InChI=1S/C3HCl5/c4-1-2(5,6)3(1,7)8/h1H",IACJMSLMMMSESC-UHFFFAOYSA-N,C3HCl5,214.3,213.849138,3,0,103,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-",13017-67-9,25609,"3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile",CC1(C(C1(C#N)C#N)(C#N)C#N)C,"InChI=1S/C9H6N4/c1-7(2)8(3-10,4-11)9(7,5-12)6-13/h1-2H3",JIEYOKFTSKQLLP-UHFFFAOYSA-N,C9H6N4,170.17,170.0592462,0.2,95.2,385,0,0,4,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarbonyl chloride, 2,2-dimethyl-3-(2-methylpropenyl)-",14297-81-5,26620,"2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride",CC(=CC1C(C1(C)C)C(=O)Cl)C,"InChI=1S/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",VNTCVNLNEOVBEE-UHFFFAOYSA-N,C10H15ClO,186.68,186.0811428,4.4,17.1,236,0,0,1,2,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-",15641-58-4,152115,"2,2,3,3-tetramethylcyclopropane-1-carboxylic acid",CC1(C(C1(C)C)C(=O)O)C,"InChI=1S/C8H14O2/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H,9,10)",SFHVXKNMCGSLAR-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,1.9,37.3,166,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-methyl-2-propyl-, carbamate, cyclopropylcarbamate",24353-88-6,32322,[2-(carbamoyloxymethyl)-2-methylpentyl] N-cyclopropylcarbamate,CCCC(C)(COC(=O)N)COC(=O)NC1CC1,"InChI=1S/C12H22N2O4/c1-3-6-12(2,7-17-10(13)15)8-18-11(16)14-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16)",PTEUWWFEEPASRM-UHFFFAOYSA-N,C12H22N2O4,258.31,258.1579572,1.7,90.7,304,0,2,4,9,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-ethynyl-2-methyl-2-pentenyl ester",54406-48-3,41073,"4-methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C,"InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3",YUGWDVYLFSETPE-UHFFFAOYSA-N,C18H26O2,274.4,274.1932801,5,26.3,481,0,0,2,6,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R-trans)-",55701-03-6,180526,"cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid",CC1([C@@H]([C@H]1C(=O)O)C=C(Cl)Cl)C,"InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m1/s1",LLMLSUSAKZVFOA-XINAWCOVSA-N,C8H10Cl2O2,209.07,208.0057849,3.3,37.3,241,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, N-((2-methylcyclopropyl)carbonyl)-",63884-38-8,44929,2-methylcyclopropane-1-carbohydrazide,CC1CC1C(=O)NN,"InChI=1S/C5H10N2O/c1-3-2-4(3)5(8)7-6/h3-4H,2,6H2,1H3,(H,7,8)",YJBPEAHLEMYMEC-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.3,55.1,113,0,2,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(cyclopropylcarbonyl)-",64513-70-8,47410,2-(cyclopropanecarbonylamino)acetic acid,C1CC1C(=O)NCC(=O)O,"InChI=1S/C6H9NO3/c8-5(9)3-7-6(10)4-1-2-4/h4H,1-3H2,(H,7,10)(H,8,9)",NDLLIOPAEOBFKZ-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,-0.4,66.4,162,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropanecarboxaldehyde, oxime",66291-30-3,6532412,(NZ)-N-(cyclopropylmethylidene)hydroxylamine,C1CC1/C=N\O,"InChI=1S/C4H7NO/c6-5-3-4-1-2-4/h3-4,6H,1-2H2/b5-3-",XQDANBKPALOMEF-HYXAFXHYSA-N,C4H7NO,85.1,85.05276385,0.4,32.6,65,0,1,2,1,6,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ammonium, (cyclopropylmethyl)trimethyl-, iodide",73664-02-5,52009,cyclopropylmethyl(trimethyl)azanium iodide,C[N+](C)(C)CC1CC1.[I-],"InChI=1S/C7H16N.HI/c1-8(2,3)6-7-4-5-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1",BEJANMZWXMSYMW-UHFFFAOYSA-M,C7H16IN,241.11,241.03275,,0,76,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-, monosodium salt, (R-(R*,S*(Z)))-",81129-83-1,23663403,"sodium (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate",CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)[O-])C.[Na+],"InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1",QXPBTTUOVWMPJN-QBNHLFMHSA-M,C16H25N2NaO5S,380.4,380.1381874,,158,525,0,3,7,11,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-, (R-(R*,S*-(Z)))-",82009-34-5,6435415,"(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid",CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C,"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1",DHSUYTOATWAVLW-WFVMDLQDSA-N,C16H26N2O5S,358.5,358.1562431,-1,155,519,0,4,7,11,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropaneacetic acid, alpha-amino-2-carboxy-3-methyl-, (alpha-S,1S,2S,3R)-",,138440,2-cyclopropylacetic acid,C1CC1CC(=O)O,"InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)",KVVDRQDTODKIJD-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.8,37.3,84,0,1,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIALIFOR,010311-84-9,25146,"2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione",CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3",MUMQYXACQUZOFP-UHFFFAOYSA-N,C14H17ClNO4PS2,393.8,393.0025151,3.8,113,473,0,0,6,8,23,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(PHTHALIMIDOMETHYL) 2-BROMOISOBUTYRATE,903562-13-0,97182265,"(1,3-dioxoisoindol-2-yl)methyl 2-bromo-2-methylpropanoate",CC(C)(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)Br,"InChI=1S/C13H12BrNO4/c1-13(2,14)12(18)19-7-15-10(16)8-5-3-4-6-9(8)11(15)17/h3-6H,7H2,1-2H3",AIPGWKMNUNTLCB-UHFFFAOYSA-N,C13H12BrNO4,326.14,324.99497,2.5,63.7,397,0,0,4,4,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSMET,000732-11-6,12901,"2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione",COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",LMNZTLDVJIUSHT-UHFFFAOYSA-N,C11H12NO4PS2,317.3,316.9945372,2.8,113,399,0,0,6,5,19,,"Decomposes below boiling point (EPA, 1998)",1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 5-AMINO-",003676-85-5,72915,"5-aminoisoindole-1,3-dione",C1=CC2=C(C=C1N)C(=O)NC2=O,"InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)",PXRKCOCTEMYUEG-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.5,72.2,239,0,2,3,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(CHLOROMETHYL)-",017564-64-6,87154,"2-(chloromethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCl,"InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2",JKGLRGGCGUQNEX-UHFFFAOYSA-N,C9H6ClNO2,195.6,195.0087061,2.2,37.4,230,0,0,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-ISOINDOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-1,3-DIOXO-",020262-55-9,88439,"1,3-dioxoisoindole-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O,"InChI=1S/C9H5NO4/c11-7-5-2-1-4(9(13)14)3-6(5)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)",ARRQNZZBVOIEQQ-UHFFFAOYSA-N,C9H5NO4,191.14,191.0218576,0.2,83.5,312,0,2,4,1,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-METHYL-5-NITRO-",041663-84-7,92321,"2-methyl-5-nitroisoindole-1,3-dione",CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3",JBCHWGTZAAZJKG-UHFFFAOYSA-N,C9H6N2O4,206.15,206.0327567,1.2,83.2,335,0,0,4,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(3-BROMOPROPYL)PHTHALIMIDE,005460-29-7,21611,"2-(3-bromopropyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr,"InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2",VKJCJJYNVIYVQR-UHFFFAOYSA-N,C11H10BrNO2,268.11,266.98949,2.6,37.4,256,0,0,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHTHALOYLGLYCINE,004702-13-0,20825,"2-(1,3-dioxoisoindol-2-yl)acetic acid",C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O,"InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)",WQINSVOOIJDOLJ-UHFFFAOYSA-N,C10H7NO4,205.17,205.0375077,0.9,74.7,301,0,1,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(3-HYDROXYPROPYL)PHTHALIMIDE,000883-44-3,70160,"2-(3-hydroxypropyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO,"InChI=1S/C11H11NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,13H,3,6-7H2",BSMILTTURCQDGJ-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,1.2,57.6,253,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PROP-2-YNYLPHTHALIMIDE,007223-50-9,81644,"2-prop-2-ynylisoindole-1,3-dione",C#CCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H7NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2",PAZCLCHJOWLTGA-UHFFFAOYSA-N,C11H7NO2,185.18,185.0476785,1.4,37.4,301,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(1-METHYLETHYL)-",000304-17-6,67535,"2-propan-2-ylisoindole-1,3-dione",CC(C)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3",VPLDXHDOGVIETL-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,2.1,37.4,248,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-BUTYL-",001515-72-6,73812,"2-butylisoindole-1,3-dione",CCCCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3",DLKDEVCJRCPTLN-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.7,37.4,251,0,0,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Isoindolinebutyric acid, 1,3-dioxo-",003130-75-4,18411,"4-(1,3-dioxoisoindol-2-yl)butanoic acid",C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O,"InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)",HMKSXJBFBVGLJJ-UHFFFAOYSA-N,C12H11NO4,233.22,233.0688078,1.3,74.7,328,0,1,4,4,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-[2-(ACETYLOXY)ETHYL]-",005466-90-0,79597,"2-(1,3-dioxoisoindol-2-yl)ethyl acetate",CC(=O)OCCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C12H11NO4/c1-8(14)17-7-6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3",FFWAFIBEOZWDJZ-UHFFFAOYSA-N,C12H11NO4,233.22,233.0688078,1.1,63.7,328,0,0,4,4,17,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(TRIMETHYLSILYL)-",010416-67-8,82615,"2-trimethylsilylisoindole-1,3-dione",C[Si](C)(C)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H13NO2Si/c1-15(2,3)12-10(13)8-6-4-5-7-9(8)11(12)14/h4-7H,1-3H3",ZRAPHEBMDYQXKR-UHFFFAOYSA-N,C11H13NO2Si,219.31,219.0715552,,37.4,284,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-ISOINDOLE-2-CARBOXYLIC ACID, 1,3-DIHYDRO-1,3-DIOXO-, ETHYL ESTER",022509-74-6,31187,"ethyl 1,3-dioxoisoindole-2-carboxylate",CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H9NO4/c1-2-16-11(15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3",VRHAQNTWKSVEEC-UHFFFAOYSA-N,C11H9NO4,219.19,219.0531578,1.9,63.7,315,0,0,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DITALIMFOS,005131-24-8,21207,"2-diethoxyphosphinothioylisoindole-1,3-dione",CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC,"InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3",MTBZIGHNGSTDJV-UHFFFAOYSA-N,C12H14NO4PS,299.28,299.0381161,3.5,87.9,394,0,0,5,5,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
N-(2-BROMOETHYL)PHTHALIMIDE,000574-98-1,11325,"2-(2-bromoethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr,"InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2",CHZXTOCAICMPQR-UHFFFAOYSA-N,C10H8BrNO2,254.08,252.97384,2.2,37.4,243,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(BROMOMETHYL)PHTHALIMIDE,005332-26-3,79244,"2-(bromomethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CBr,"InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2",UUSLLECLCKTJQF-UHFFFAOYSA-N,C9H6BrNO2,240.05,238.95819,2.3,37.4,230,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ETHENYL-1H-ISOINDOLE-1,3(2H)-DIONE",003485-84-5,77035,"2-ethenylisoindole-1,3-dione",C=CN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2",IGDLZDCWMRPMGL-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.8,37.4,248,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYETHYLPHTHALIMIDE,003891-07-4,77499,"2-(2-hydroxyethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCO,"InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2",MWFLUYFYHANMCM-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,0.8,57.6,240,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(4-BROMOBUTYL)PHTHALIMIDE,005394-18-3,93575,"2-(4-bromobutyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr,"InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2",UXFWTIGUWHJKDD-UHFFFAOYSA-N,C12H12BrNO2,282.13,281.00514,3,37.4,269,0,0,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 5-NITRO-",000089-40-7,6969,"5-nitroisoindole-1,3-dione",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O,"InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)",ANYWGXDASKQYAD-UHFFFAOYSA-N,C8H4N2O4,192.13,192.0171066,1,92,309,0,1,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(HYDROXYMETHYL)-",000118-29-6,8354,"2-(hydroxymethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CO,"InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2",MNSGOOCAMMSKGI-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,1.5,57.6,227,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-HYDROXY-",000524-38-9,10665,"2-hydroxyisoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)O,"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H",CFMZSMGAMPBRBE-UHFFFAOYSA-N,C8H5NO3,163.13,163.026943,0.8,57.6,214,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-METHYL-",000550-44-7,11074,"2-methylisoindole-1,3-dione",CN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3",ZXLYYQUMYFHCLQ-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.3,37.4,213,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 4-NITRO-",000603-62-3,11779,"4-nitroisoindole-1,3-dione",C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O,"InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)",BONIIQYTWOPUQI-UHFFFAOYSA-N,C8H4N2O4,192.13,192.0171066,0.5,92,309,0,1,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 4,5,6,7-TETRACHLORO-",001571-13-7,74077,"4,5,6,7-tetrachloroisoindole-1,3-dione",C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O,"InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)",LPUUYZVKCMCHLO-UHFFFAOYSA-N,C8HCl4NO2,284.9,284.873189,3.2,46.2,294,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glutaric acid, 2-phthalimido-, DL-",002301-52-2,92225,"2-(1,3-dioxoisoindol-2-yl)pentanedioic acid",C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O,"InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)",FEFFSKLJNYRHQN-UHFFFAOYSA-N,C13H11NO6,277.23,277.0586371,0.4,112,436,0,2,6,5,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 4-AMINO-",002518-24-3,72914,"4-aminoisoindole-1,3-dione",C1=CC2=C(C(=C1)N)C(=O)NC2=O,"InChI=1S/C8H6N2O2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,9H2,(H,10,11,12)",GQBONCZDJQXPLV-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.6,72.2,239,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-ETHYL-",005022-29-7,21120,"2-ethylisoindole-1,3-dione",CCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3",JZDSOQSUCWVBMV-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.9,37.4,225,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, (1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-, DIETHYL ESTER",005680-61-5,79760,"diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate",CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3",SZNGBHWKVWEBKW-UHFFFAOYSA-N,C15H15NO6,305.28,305.0899372,1.7,90,446,0,0,6,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(1-METHYLPROPYL)-",010108-61-9,95380,"2-butan-2-ylisoindole-1,3-dione",CCC(C)N1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C12H13NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-8H,3H2,1-2H3",ZTXOTHWCDVUQRM-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.6,37.4,263,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-[(TRICHLOROMETHYL)THIO]-1H-ISOINDOLE-1,3(2H)-DIONE",000133-07-3,8607,"2-(trichloromethylsulfanyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,"InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",HKIOYBQGHSTUDB-UHFFFAOYSA-N,C9H4Cl3NO2S,296.6,294.902833,2.8,62.7,307,0,0,3,1,16,,,1,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Glutaric acid, 2-phthalimido-, L-",000340-90-9,160453,"(2S)-2-(1,3-dioxoisoindol-2-yl)pentanedioic acid",C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)/t9-/m0/s1",FEFFSKLJNYRHQN-VIFPVBQESA-N,C13H11NO6,277.23,277.0586371,0.4,112,436,0,2,6,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalimide, N-(2-formylethyl)-",2436-29-5,75525,"3-(1,3-dioxoisoindol-2-yl)propanal",C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=O,"InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2",IBSDSIHTMABATG-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,0.9,54.5,276,0,0,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalimide, N-(formylmethyl)-",2913-97-5,76201,"2-(1,3-dioxoisoindol-2-yl)acetaldehyde",C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O,"InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2",LMRDBJZQDUVCQH-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,0.8,54.5,263,0,0,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanethiol, 2-phthalimido-",4490-75-9,96248,"2-(2-sulfanylethyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)CCS,"InChI=1S/C10H9NO2S/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-14/h1-4,14H,5-6H2",UHOPWFKONJYLCF-UHFFFAOYSA-N,C10H9NO2S,207.25,207.0353997,1.8,38.4,243,0,1,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Isoindolineacetamide, 1,3-dioxo-",4935-96-0,21053,"2-(1,3-dioxoisoindol-2-yl)acetamide",C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N,"InChI=1S/C10H8N2O3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2,(H2,11,13)",OGDWOTGXUXNSQA-UHFFFAOYSA-N,C10H8N2O3,204.18,204.0534921,0.3,80.5,303,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethoxy)-",5181-35-1,199875,"2-(2-bromoethoxy)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)OCCBr,"InChI=1S/C10H8BrNO3/c11-5-6-15-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2",OCWDBKQNNKCYCJ-UHFFFAOYSA-N,C10H8BrNO3,270.08,268.96876,2.1,46.6,258,0,0,3,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalimide, N-propyl-",5323-50-2,79215,"2-propylisoindole-1,3-dione",CCCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3",RLARUBPTQYKZKA-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,2.4,37.4,238,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2H-Isoindole-2-acetyl chloride, 1,3-dihydro-1,3-dioxo-",6780-38-7,81242,"2-(1,3-dioxoisoindol-2-yl)acetyl chloride",C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)Cl,"InChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2",RHZBRCQIKQUQHQ-UHFFFAOYSA-N,C10H6ClNO3,223.61,223.0036207,1.9,54.5,305,0,0,3,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phthalimide, N-(3-methyl-2-butenyl)-",15936-45-5,96648,"2-(3-methylbut-2-enyl)isoindole-1,3-dione",CC(=CCN1C(=O)C2=CC=CC=C2C1=O)C,"InChI=1S/C13H13NO2/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-7H,8H2,1-2H3",NPPJFTLLMRKUHM-UHFFFAOYSA-N,C13H13NO2,215.25,215.0946287,2.8,37.4,318,0,0,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
R-PHYCOERYTHRIN,011016-17-4,238,"[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",ZKHQWZAMYRWXGA-UHFFFAOYSA-N,C10H16N5O13P3,507.18,506.9957466,-5.7,279,800,0,7,17,8,31,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CORDYCEPIN,000073-03-0,6303,"(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol",C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO,"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1",OFEZSBMBBKLLBJ-BAJZRUMYSA-N,C10H13N5O3,251.24,251.1018393,-1.2,119,307,0,3,7,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-DEOXYADENOSINE MONOHYDRATE,016373-93-6,9549172,"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;hydrate",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O.O,"InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1",WZJWHIMNXWKNTO-VWZUFWLJSA-N,C10H15N5O4,269.26,269.112404,,120,307,0,4,8,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-DEOXYADENOSINE-5-DIPHOSPHATE SODIUM,072003-83-9,44150064,"disodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+],"InChI=1S/C10H15N5O9P2.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1",QPOQRKUWBIAHBO-OJSHLMAWSA-L,C10H13N5Na2O9P2,455.17,454.9983896,,218,597,0,3,13,6,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"B,GAMMA-METHYLENEADENOSINE 5'-TRIPHOSPHATE DISODIUM SALT",007414-56-4,117072661,"sodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl-hydroxyphosphinate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)[O-])O)O)O)N.[Na+],"InChI=1S/C11H18N5O12P3.Na/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21;/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);/q;+1/p-1/t5-,7-,8-,11-;/m1./s1",MKVIBVOIFQAVOC-YCSZXMBFSA-M,C11H17N5NaO12P3,527.19,526.9984263,,273,813,0,6,16,8,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CLADRIBINE,004291-63-8,20279,"(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",PTOAARAWEBMLNO-KVQBGUIXSA-N,C10H12ClN5O3,285.69,285.062867,0.8,119,338,0,3,7,2,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADENOSINE 5'-TRIPHOSPHATE MAGNESIUM,074804-12-9,18666496,"dimagnesium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Mg+2].[Mg+2],"InChI=1S/C10H16N5O13P3.2Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+2/p-4/t4-,6-,7-,10-;;/m1../s1",YGXMYKTZDMYISM-IDIVVRGQSA-J,C10H12Mg2N5O13P3,551.76,550.9345298,,290,772,0,3,17,7,33,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5'-DEOXY-5'-METHYLTHIOADENOSINE,002457-80-9,439176,"(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol",CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",WUUGFSXJNOTRMR-IOSLPCCCSA-N,C11H15N5O3S,297.34,297.0895605,-0.3,145,352,0,3,8,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SINEFUNGIN,058944-73-3,65482,"(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,"InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1",LMXOHSDXUQEUSF-YECHIGJVSA-N,C15H23N7O5,381.39,381.1760669,-4.3,209,529,0,6,11,7,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenosine, 2-chloro-",000146-77-0,8974,"(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N,"InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1",BIXYYZIIJIXVFW-UUOKFMHZSA-N,C10H12ClN5O4,301.69,301.0577816,-0.1,140,367,0,4,8,2,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
(-)-ADENOSINE,000058-61-7,60961,"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",OIRDTQYFTABQOQ-KQYNXXCUSA-N,C10H13N5O4,267.24,267.0967539,-1.1,140,335,0,4,8,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ADENOSINE 5'-TRIPHOSPHATE TRIS,102047-34-7,45052362,"bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O,"InChI=1S/C10H16N5O13P3.2C4H11NO3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;2*5-4(1-6,2-7)3-8/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);2*6-8H,1-3,5H2/t4-,6-,7-,10-;;/m1../s1",RFLPQCVEEHGPOA-IDIVVRGQSA-N,C18H38N7O19P3,749.5,749.143533,,453,854,0,15,25,14,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COENZYME A, LITHIUM",018439-24-2,87641,"trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate",[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCS)O,"InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/t11-,14-,15-,16+,20-;;;/m1.../s1",QSCBPHBAFBVXRK-FFKZSOHASA-K,C21H33Li3N7O16P3S,785.4,785.1397455,,356,1250,0,7,21,18,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-DEOXYADENOSINE 5'-TRIPHOSPHATE DISODIUM SALT,074299-50-6,44154181,"disodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphono phosphate",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O.[Na+].[Na+],"InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1",JEKDCIBJADJZSK-OJSHLMAWSA-L,C10H14N5Na2O12P3,535.15,534.9647205,,265,752,0,4,16,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADENOSINE 5'-TRIPHOSPHATE DISODIUM SALT HYDRATE,034369-07-8,16218877,"disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+],"InChI=1S/C10H16N5O13P3.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1",NTBQNWBHIXNPRU-MSQVLRTGSA-L,C10H16N5Na2O14P3,569.16,568.9701998,,286,789,0,6,18,8,34,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE LITHIUM",104809-20-3,23702957,"lithium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl] hydrogen phosphate",[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)[O-])O)O)O)N,"InChI=1S/C11H18N5O12P3.Li/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25;/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25);/q;+1/p-1/t5-,7-,8-,11-;/m1./s1",NVHVREPTGDOYIC-YCSZXMBFSA-M,C11H17LiN5O12P3,511.2,511.0246604,,273,813,0,6,16,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADENOSINE DIPHOSPHATE,000058-64-0,6022,"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",XTWYTFMLZFPYCI-KQYNXXCUSA-N,C10H15N5O10P2,427.2,427.0294157,-4.6,233,637,0,6,14,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETYL COENZYME A LITHIUM SALT,032140-51-5,16218870,"trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate",[Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O,"InChI=1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/q;3*+1/p-3/t13-,16-,17-,18+,22-;;;/m1.../s1",FTRFBNATWBKIQU-JHJDYNLLSA-K,C23H35Li3N7O17P3S,827.5,827.1503101,,397,1360,0,6,22,20,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYRYL COENZYME A LITHIUM SALT HYDRATE,102282-28-0,71771457,"trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-butanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate",[Li+].[Li+].[Li+].CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O,"InChI=1S/C25H42N7O17P3S.3Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/t14-,18-,19-,20+,24-;;;/m1.../s1",SSSSPMGDEUHRDN-WSRMJXCZSA-K,C25H39Li3N7O17P3S,855.5,855.1816103,,397,1390,0,6,22,21,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINYL COENZYME A SODIUM SALT,108347-97-3,71433916,"4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate",CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])O,"InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-2/t13-,18-,19-,20?,24-/m1/s1",VNOYUJKHFWYWIR-FZEDXVDRSA-L,C25H38N7O19P3S-2,865.6,865.1156042,-5.6,432,1500,-2,8,24,22,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), MONOANHYDRIDE WITH PHOSPHOROTHIOIC ACID, TETRALITHIUM SALT",093839-89-5,5311341,"tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate",[Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N,"InChI=1S/C10H16N5O12P3S.4Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31;;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1",DWQFDOIBOYDYKH-KWIZKVQNSA-J,C10H12Li4N5O12P3S,547.1,547.0056167,,305,788,0,3,17,8,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLMALONYL COENZYME A TETRALITHIUM SALT HYDRATE,104809-02-1,11966111,"(2S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid",C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18-,22+/m0/s1",MZFOKIKEPGUZEN-IBNUZSNCSA-N,C25H40N7O19P3S,867.6,867.1312542,-5.4,426,1530,0,10,24,22,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADENOSINE 5'-DIPHOSPHORIBOSE SODIUM SALT,068414-18-6,16218837,,C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(C=O)O)O)O)O)O)N.[Na],"InChI=1S/C15H23N5O14P2.Na/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21;/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18);",LVIWKNSMPKNKBI-UHFFFAOYSA-N,C15H23N5NaO14P2,582.31,582.0614437,,299,859,0,8,18,12,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COENZYME A,000085-61-0,87642,"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate",CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",RGJOEKWQDUBAIZ-IBOSZNHHSA-N,C21H36N7O16P3S,767.5,767.1152103,-5.8,348,1270,0,10,21,18,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
S-(5'-DEOXY-5'-ADENOSYL)METHIONINE IODIDE,003493-13-8,102418,"(3-amino-3-carboxypropyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium iodide",C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[I-],"InChI=1S/C15H22N6O5S.HI/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H",XQMWYLXPEGFCFT-UHFFFAOYSA-N,C15H23IN6O5S,526.4,526.04954,,184,533,0,5,11,7,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ALCOHOL DEHYDROGENASE,009031-72-5,78120390,"[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxodocosa-7,10,13,16,19-pentaenoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O,"InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4",SLYKKQSPRFJDAF-UHFFFAOYSA-J,C43H62N7O18P3S-4,1090,1089.30849,-0.3,417,2020,-4,5,23,34,72,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"9H-PURIN-6-AMINE, 9-.BETA.-D-ARABINOFURANOSYL-",005536-17-4,21704,"(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",OIRDTQYFTABQOQ-UHTZMRCNSA-N,C10H13N5O4,267.24,267.0967539,-1.1,140,335,0,4,8,2,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PUROMYCIN AMINONUCLEOSIDE,000058-60-6,6020,"(2R,3R,4S,5S)-4-amino-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol",CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O,"InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1",RYSMHWILUNYBFW-GRIPGOBMSA-N,C12H18N6O3,294.31,294.1440385,-0.5,123,373,0,3,8,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Adenosine, 2-fluoro-",146-78-1,8975,"(2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1",HBUBKKRHXORPQB-UUOKFMHZSA-N,C10H12FN5O4,285.23,285.087332,-0.6,140,367,0,4,9,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3'-Adenylic acid, 5'-(dihydrogen phosphate), 5'-anhydride with sulfuric acid",482-67-7,10214,"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN-KQYNXXCUSA-N,C10H15N5O13P2S,507.27,506.9862307,-5,284,852,0,6,17,8,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9H-Purine, 9-beta-D-ribofuranosyl-",550-33-4,68368,"(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol",C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1",MRWXACSTFXYYMV-FDDDBJFASA-N,C10H12N4O4,252.23,252.0858549,-0.7,114,308,0,3,7,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Adenosine, 2'-deoxy-",958-09-8,13730,"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",OLXZPDWKRNYJJZ-RRKCRQDMSA-N,C10H13N5O3,251.24,251.1018393,-0.5,119,307,0,3,7,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenosine 5'-(tetrahydrogen triphosphate), magnesium salt",1476-84-2,15126,"magnesium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Mg+2],"InChI=1S/C10H16N5O13P3.Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1",CYYJCOXYBYJLIK-MCDZGGTQSA-L,C10H14MgN5O13P3,529.47,528.9651382,,285,789,0,5,17,8,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Purine, 6-chloro-9-ribofuranosyl-",2004-06-0,93003,"(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1",XHRJGHCQQPETRH-KQYNXXCUSA-N,C10H11ClN4O4,286.67,286.0468825,0.3,114,339,0,3,7,2,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5'-Adenylic acid, monoanhydride with methylenebis(phosphonic acid)",3469-78-1,91532,"[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N,"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",UFZTZBNSLXELAL-IOSLPCCCSA-N,C11H18N5O12P3,505.21,505.016482,-5.9,270,800,0,7,16,8,31,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Adenosine, 2',3'-dideoxy-",4097-22-7,20039,"[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol",C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N,"InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1",WVXRAFOPTSTNLL-NKWVEPMBSA-N,C10H13N5O2,235.24,235.1069247,-0.2,99.1,279,0,2,6,2,17,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Adenine, 9-beta-D-arabinofuranosyl-2-fluoro-",21679-14-1,657237,"(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1",HBUBKKRHXORPQB-FJFJXFQQSA-N,C10H12FN5O4,285.23,285.087332,-0.6,140,367,0,4,9,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenine, 9-beta-D-arabinofuranosyl-, monohydrate",24356-66-9,32326,"(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N.O,"InChI=1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7+,10-;/m1./s1",ZTHWFVSEMLMLKT-CAMOTBBTSA-N,C10H15N5O5,285.26,285.1073186,,141,335,0,5,9,2,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Adenosine, 5'-((L-3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, hydroxide, inner salt",29908-03-0,34755,"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate",C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI-AIRLBKTGSA-N,C15H22N6O5S,398.4,398.137239,-2.8,186,527,0,4,10,6,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-",35920-39-9,448222,"(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide",CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,"InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1",JADDQZYHOWSFJD-FLNNQWSLSA-N,C12H16N6O4,308.29,308.123303,-0.7,148,426,0,4,8,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-beta-D-arabinofuranosyl)-",75607-67-9,30751,"[(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)F)N,"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1",GIUYCYHIANZCFB-FJFJXFQQSA-N,C10H13FN5O7P,365.21,365.0536629,-3.1,186,514,0,5,12,4,24,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"9H-Purin-2-amine, 9-beta-D-arabinofuranosyl-6-methoxy-",121032-29-9,3011155,"(2R,3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",IXOXBSCIXZEQEQ-UHTZMRCNSA-N,C11H15N5O5,297.27,297.1073186,-0.7,149,377,0,4,9,3,21,,,0,0,0,1,0,1,1,1,0,0,1,0,0,1,0,0,1,0,1,1
"9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-",123318-82-1,119182,"(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol",C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",WDDPHFBMKLOVOX-AYQXTPAHSA-N,C10H11ClFN5O3,303.68,303.0534451,0.9,119,370,0,3,8,2,20,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
URACIL MUSTARD,000066-75-1,6194,"5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl,"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",IDPUKCWIGUEADI-UHFFFAOYSA-N,C8H11Cl2N3O2,252.09,251.022832,0.5,61.4,288,0,2,3,5,15,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUOROURACIL,000051-21-8,3385,"5-fluoro-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)F,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV-UHFFFAOYSA-N,C4H3FN2O2,130.08,130.0178555,-0.9,58.2,199,0,2,3,0,9,,Decomposes at 282-283 °C; sublimes (0.1 mm): 190-200 °C,0,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,0,1
5-CHLOROURACIL,001820-81-1,15758,"5-chloro-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)Cl,"InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",ZFTBZKVVGZNMJR-UHFFFAOYSA-N,C4H3ClN2O2,146.53,145.988305,-0.3,58.2,199,0,2,2,0,9,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
CARMOFUR,061422-45-5,2577,"5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide",CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F,"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)",AOCCBINRVIKJHY-UHFFFAOYSA-N,C11H16FN3O3,257.26,257.1175695,2.6,78.5,382,0,2,4,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BROMACIL,000314-40-9,9411,"5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione",CCC(C)N1C(=O)C(=C(NC1=O)C)Br,"InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",CTSLUCNDVMMDHG-UHFFFAOYSA-N,C9H13BrN2O2,261.12,260.01604,2.1,49.4,312,0,1,2,2,14,,"Sublimes (NIOSH, 2024)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-IODOURACIL,000696-07-1,69672,"5-iodo-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)I,"InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",KSNXJLQDQOIRIP-UHFFFAOYSA-N,C4H3IN2O2,237.98,237.92392,0,58.2,199,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OROTIC ACID,000065-86-1,967,"2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1=C(NC(=O)NC1=O)C(=O)O,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",PXQPEWDEAKTCGB-UHFFFAOYSA-N,C5H4N2O4,156.1,156.0171066,-1.4,95.5,268,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOURACIL,000932-52-5,13611,"5-amino-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)N,"InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)",BISHACNKZIBDFM-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-1.5,84.2,196,0,3,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-BROMOURACIL,000051-20-7,5802,"5-bromo-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)Br,"InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",LQLQRFGHAALLLE-UHFFFAOYSA-N,C4H3BrN2O2,190.98,189.93779,-0.2,58.2,199,0,2,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-FLUOROOROTIC ACID,000703-95-7,69711,"5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1(=C(NC(=O)NC1=O)C(=O)O)F,"InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)",SEHFUALWMUWDKS-UHFFFAOYSA-N,C5H3FN2O4,174.09,174.0076847,-0.9,95.5,309,0,3,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-3-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)PROPANOIC ACID HYDROCHLORIDE",021754-36-9,138991852,"2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride",C1=C(C(=O)NC(=O)N1)CC(C(=O)O)N.Cl,"InChI=1S/C7H9N3O4.ClH/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11;/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14);1H",GSELRJOMFXKPFQ-UHFFFAOYSA-N,C7H10ClN3O4,235.62,235.0359835,,122,323,0,5,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUOROOROTIC ACID HYDRATE,207291-81-4,16212749,"5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate",C1(=C(NC(=O)NC1=O)C(=O)O)F.O,"InChI=1S/C5H3FN2O4.H2O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);1H2",LODRRYMGPWQCTR-UHFFFAOYSA-N,C5H5FN2O5,192.1,192.0182494,,96.5,309,0,4,6,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-BROMO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID",015018-62-9,95774,"5-bromo-2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1(=C(NC(=O)NC1=O)C(=O)O)Br,"InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)",YQYHIPBLZSIHDI-UHFFFAOYSA-N,C5H3BrN2O4,234.99,233.92762,-0.3,95.5,309,0,3,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-CHLORO-2,6-DIHYDROXY-4-
PYRIMIDINECARBOXYLIC ACID",036313-98-1,233338,"5-chloro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1(=C(NC(=O)NC1=O)C(=O)O)Cl,"InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)",AJYLJEAORVKEHN-UHFFFAOYSA-N,C5H3ClN2O4,190.54,189.9781343,-0.4,95.5,309,0,3,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-PYRIMIDINEDIONE, 6-AMINO-",000873-83-6,70120,"6-amino-1H-pyrimidine-2,4-dione",C1=C(NC(=O)NC1=O)N,"InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)",LNDZXOWGUAIUBG-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-1.6,84.2,196,0,3,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-PYRIMIDINEDIONE, 5,6-DIAMINO-",003240-72-0,76726,"5,6-diamino-1H-pyrimidine-2,4-dione",C1(=C(NC(=O)NC1=O)N)N,"InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)",BBTNLADSUVOPPN-UHFFFAOYSA-N,C4H6N4O2,142.12,142.0490755,-1.9,110,231,0,4,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-PYRIMIDINEDIONE, 5,6-DIAMINO-1,3-DIMETHYL-",005440-00-6,79501,"5,6-diamino-1,3-dimethylpyrimidine-2,4-dione",CN1C(=C(C(=O)N(C1=O)C)N)N,"InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3",BGQNOPFTJROKJE-UHFFFAOYSA-N,C6H10N4O2,170.17,170.0803756,-0.5,92.7,283,0,2,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-PYRIMIDINESULFONAMIDE, 1,2,3,4-TETRAHYDRO-2,4-DIOXO-",017017-91-3,73270,"2,4-dioxo-1H-pyrimidine-5-sulfonamide",C1=C(C(=O)NC(=O)N1)S(=O)(=O)N,"InChI=1S/C4H5N3O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,5,10,11)(H2,6,7,8,9)",KDRFQWXSVKKJEZ-UHFFFAOYSA-N,C4H5N3O4S,191.17,191.0000768,-1.6,127,362,0,3,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBACIL,005902-51-2,22188,"3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione",CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl,"InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)",NBQCNZYJJMBDKY-UHFFFAOYSA-N,C9H13ClN2O2,216.66,216.0665554,1.9,49.4,328,0,1,2,1,14,,Sublimation begins below the melting point,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-SULFONYL CHLORIDE",028485-18-9,234620,"2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride",C1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl,"InChI=1S/C4H3ClN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",FQHNJCWWBKYCJW-UHFFFAOYSA-N,C4H3ClN2O4S,210.6,209.9502054,-0.7,101,365,0,2,4,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
URACIL,000066-22-8,1174,"1H-pyrimidine-2,4-dione",C1=CNC(=O)NC1=O,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-1.1,58.2,161,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-(CHLOROMETHYL)URACIL,018592-13-7,73273,"6-(chloromethyl)-1H-pyrimidine-2,4-dione",C1=C(NC(=O)NC1=O)CCl,"InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)",VCFXBAPEXBTNEA-UHFFFAOYSA-N,C5H5ClN2O2,160.56,160.0039551,-0.7,58.2,212,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYMETHYLURACIL,004433-40-3,78168,"5-(hydroxymethyl)-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)CO,"InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)",JDBGXEHEIRGOBU-UHFFFAOYSA-N,C5H6N2O3,142.11,142.0378421,-1.9,78.4,209,0,3,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
URACIL-5-CARBOXYLIC ACID MONOHYDRATE,023945-44-0,90301,"2,4-dioxo-1H-pyrimidine-5-carboxylic acid",C1=C(C(=O)NC(=O)N1)C(=O)O,"InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",ZXYAAVBXHKCJJB-UHFFFAOYSA-N,C5H4N2O4,156.1,156.0171066,-0.7,95.5,268,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIMETHYLURACIL",000874-14-6,70122,"1,3-dimethylpyrimidine-2,4-dione",CN1C=CC(=O)N(C1=O)C,"InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3",JSDBKAHWADVXFU-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,-0.5,40.6,210,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-NITROURACIL,000611-08-5,69135,"5-nitro-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],"InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)",TUARVSWVPPVUGS-UHFFFAOYSA-N,C4H3N3O4,157.08,157.0123556,-1,104,263,0,2,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
URACIL-4-ACETIC ACID,004628-39-1,73271,"2-(2,4-dioxo-1H-pyrimidin-6-yl)acetic acid",C1=C(NC(=O)NC1=O)CC(=O)O,"InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)",NQAUNZZEYKWTHM-UHFFFAOYSA-N,C6H6N2O4,170.12,170.0327567,-1.7,95.5,281,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOOROTIC ACID,007164-43-4,73018,"5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1(=C(NC(=O)NC1=O)C(=O)O)N,"InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)",HWCXJKLFOSBVLH-UHFFFAOYSA-N,C5H5N3O4,171.11,171.0280057,-1.2,122,306,0,4,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLTHYMINE,004160-72-9,95961,"1,5-dimethylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)C,"InChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)7-5(4)9/h3H,1-2H3,(H,7,9,10)",GKMIDMKPBOUSBQ-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,-0.5,49.4,220,0,1,2,0,10,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VIOLURIC ACID MONOHYDRATE,026351-19-9,135845148,"6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate",C1(=C(NC(=O)NC1=O)O)N=O.O,"InChI=1S/C4H3N3O4.H2O/c8-2-1(7-11)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2",QJGCOHAQRQNJFS-UHFFFAOYSA-N,C4H5N3O5,175.1,175.0229203,,109,269,0,4,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THYMINE-1-ACETIC ACID,020924-05-4,853753,"2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid",CC1=CN(C(=O)NC1=O)CC(=O)O,"InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)",TZDMCKHDYUDRMB-UHFFFAOYSA-N,C7H8N2O4,184.15,184.0484067,-0.8,86.7,308,0,2,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Uracil, 5-(hydroxymethyl)-6-methyl-",000147-61-5,8983,"5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione",CC1=C(C(=O)NC(=O)N1)CO,"InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)",XBAVGYMDOXCWQU-UHFFFAOYSA-N,C6H8N2O3,156.14,156.0534921,-0.9,78.4,244,0,3,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THYMINE,000065-71-4,1135,"5-methyl-1H-pyrimidine-2,4-dione",CC1=CNC(=O)NC1=O,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.6,58.2,195,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYLURACIL,000615-77-0,12009,"1-methylpyrimidine-2,4-dione",CN1C=CC(=O)NC1=O,"InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)",XBCXJKGHPABGSD-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-1.2,49.4,185,0,1,2,0,9,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLURACIL,000608-34-4,79066,"3-methyl-1H-pyrimidine-2,4-dione",CN1C(=O)C=CNC1=O,"InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)",VPLZGVOSFFCKFC-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.8,49.4,185,0,1,2,0,9,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-PYRIMIDINEDIONE, 6-AMINO-1,3-DIMETHYL-5-NITROSO-",006632-68-4,81133,"6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione",CN1C(=C(C(=O)N(C1=O)C)N=O)N,"InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3",MGBDANYXBKROBW-UHFFFAOYSA-N,C6H8N4O3,184.15,184.0596401,0.1,96.1,322,0,1,5,0,13,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIHYDROXY-6-METHYLPYRIMIDINE",000626-48-2,12283,"6-methyl-1H-pyrimidine-2,4-dione",CC1=CC(=O)NC(=O)N1,"InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",SHVCSCWHWMSGTE-UHFFFAOYSA-N,C5H6N2O2,126.11,126.0429274,-0.8,58.2,195,0,2,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Uracil, 5-(trifluoromethyl)-",54-20-6,5899,"5-(trifluoromethyl)-1H-pyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1)C(F)(F)F,"InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)",LMNPKIOZMGYQIU-UHFFFAOYSA-N,C5H3F3N2O2,180.08,180.0146618,0,58.2,268,0,2,5,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo-",1195-08-0,304590,"2,4-dioxo-1H-pyrimidine-5-carbaldehyde",C1=C(C(=O)NC(=O)N1)C=O,"InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)",OHAMXGZMZZWRCA-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,-1,75.3,231,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Lysine, mono(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate)",28003-86-3,119786,"(2S)-2,6-diaminohexanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid",C1=C(NC(=O)NC1=O)C(=O)O.C(CCN)C[C@@H](C(=O)O)N,"InChI=1S/C6H14N2O2.C5H4N2O4/c7-4-2-1-3-5(8)6(9)10;8-3-1-2(4(9)10)6-5(11)7-3/h5H,1-4,7-8H2,(H,9,10);1H,(H,9,10)(H2,6,7,8,11)/t5-;/m0./s1",FVGJURXBWORGKL-JEDNCBNOSA-N,C11H18N4O6,302.28,302.1226343,,185,374,0,6,8,6,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrouracil, 5-hydroxyimino-6-imino-",63884-45-7,79510,"6-amino-5-nitroso-1H-pyrimidine-2,4-dione",C1(=C(NC(=O)NC1=O)N)N=O,"InChI=1S/C4H4N4O3/c5-2-1(8-11)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)",DKPCSXFEWFSECE-UHFFFAOYSA-N,C4H4N4O3,156.1,156.02834,-1.3,114,269,0,3,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-Pyrimidinedione, 1-amino-5-bromo-",127984-93-4,124491,"1-amino-5-bromopyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1N)Br,"InChI=1S/C4H4BrN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10)",IUPKMXPUMPJRDV-UHFFFAOYSA-N,C4H4BrN3O2,206,204.94869,-0.6,75.4,225,0,2,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANOL,000768-95-6,64152,adamantan-1-ol,C1C2CC3CC1CC(C2)(C3)O,"InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2",VLLNJDMHDJRNFK-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,20.2,144,0,1,1,0,11,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANETHIOL,034301-54-7,99730,adamantane-1-thiol,C1C2CC3CC1CC(C2)(C3)S,"InChI=1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2",ADJJLNODXLXTIH-UHFFFAOYSA-N,C10H16S,168.3,168.0972717,3.1,1,144,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-ADAMANTANAMINE,000768-94-5,2130,adamantan-1-amine,C1C2CC3CC1CC(C2)(C3)N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",DKNWSYNQZKUICI-UHFFFAOYSA-N,C10H17N,151.25,151.1360995,2.4,26,144,0,1,1,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
AMANTADINE HYDROCHLORIDE,000665-66-7,64150,adamantan-1-amine;hydrochloride,C1C2CC3CC1CC(C2)(C3)N.Cl,"InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H",WOLHOYHSEKDWQH-UHFFFAOYSA-N,C10H18ClN,187.71,187.1127773,,26,144,0,2,1,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
1-ADAMANTANECARBOXYLIC ACID,000828-51-3,13235,adamantane-1-carboxylic acid,C1C2CC3CC1CC(C2)(C3)C(=O)O,"InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)",JIMXXGFJRDUSRO-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.6,37.3,216,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOADAMANTANE,000768-90-1,79106,1-bromoadamantane,C1C2CC3CC1CC(C2)(C3)Br,"InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2",VQHPRVYDKRESCL-UHFFFAOYSA-N,C10H15Br,215.13,214.03571,3.6,0,144,0,0,0,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTYL ISOCYANATE,004411-25-0,2059995,1-isocyanatoadamantane,C1C2CC3CC1CC(C2)(C3)N=C=O,"InChI=1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2",VBHCPGFCIQDXGZ-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,3.6,29.4,237,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIBROMOADAMANTANE",000876-53-9,265790,"1,3-dibromoadamantane",C1C2CC3(CC1CC(C2)(C3)Br)Br,"InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2",HLWZKLMEOVIWRK-UHFFFAOYSA-N,C10H14Br2,294.03,293.94418,3.7,0,190,0,0,0,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANECARBONITRILE,023074-42-2,90878,adamantane-1-carbonitrile,C1C2CC3CC1CC(C2)(C3)C#N,"InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2",FQFZASRJFRAEIH-UHFFFAOYSA-N,C11H15N,161.24,161.1204495,2.6,23.8,216,0,0,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-ADAMANTANEDIOL",005001-18-3,573829,"adamantane-1,3-diol",C1C2CC3(CC1CC(C2)(C3)O)O,"InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2",MOLCWHCSXCKHAP-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,0.8,40.5,190,0,2,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-TRICYCLO[3.3.1.13,7]DEC-1-YL-",000880-52-4,64153,N-(1-adamantyl)acetamide,CC(=O)NC12CC3CC(C1)CC(C3)C2,"InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)",BCVXYGJCDZPKGV-UHFFFAOYSA-N,C12H19NO,193.28,193.1466642,2.2,29.1,230,0,1,1,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRICYCLO[3.3.1.13,7]DECANE, 1-CHLORO-",000935-56-8,64154,1-chloroadamantane,C1C2CC3CC1CC(C2)(C3)Cl,"InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2",OZNXTQSXSHODFR-UHFFFAOYSA-N,C10H15Cl,170.68,170.0862282,3.4,0,144,0,0,0,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANEMETHANOL,000770-71-8,64556,1-adamantylmethanol,C1C2CC3CC1CC(C2)(C3)CO,"InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2",MDVGOOIANLZFCP-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.4,20.2,156,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANEETHANOL,006240-11-5,110810,2-(1-adamantyl)ethanol,C1C2CC3CC1CC(C2)(C3)CCO,"InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2",ZBIDZPHRNBZTLT-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,3.4,20.2,168,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ADAMANTANOL,000700-57-2,64149,adamantan-2-ol,C1C2CC3CC1CC(C2)C3O,"InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2",FOWDOWQYRZXQDP-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,1.9,20.2,148,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTANEACETIC ACID,004942-47-6,123221,2-(1-adamantyl)acetic acid,C1C2CC3CC1CC(C2)(C3)CC(=O)O,"InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)",AOTQGWFNFTVXNQ-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,3.2,37.3,228,0,1,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-ADAMANTANEDICARBOXYLIC ACID",039269-10-8,64339,"adamantane-1,3-dicarboxylic acid",C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)O,"InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)",PAVQGHWQOQZQEH-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,1.1,74.6,327,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ADAMANTYL BROMOMETHYL KETONE,005122-82-7,197820,1-(1-adamantyl)-2-bromoethanone,C1C2CC3CC1CC(C2)(C3)C(=O)CBr,"InChI=1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2",KWCDIRFSULAMOC-UHFFFAOYSA-N,C12H17BrO,257.17,256.04628,3.3,17.1,230,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-(ADAMANTAN-1-YL)-2-AMINOACETATE HYDROCHLORIDE,095853-32-0,2882774,methyl 2-(1-adamantyl)-2-aminoacetate;hydrochloride,COC(=O)C(C12CC3CC(C1)CC(C3)C2)N.Cl,"InChI=1S/C13H21NO2.ClH/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13;/h8-11H,2-7,14H2,1H3;1H",WJNNVAVZDVJLOW-UHFFFAOYSA-N,C13H22ClNO2,259.77,259.1339066,,52.3,272,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(1-ADAMANTYL)ACETOHYDRAZIDE,019026-80-3,703003,2-(1-adamantyl)acetohydrazide,C1C2CC3CC1CC(C2)(C3)CC(=O)NN,"InChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)",ZORPHDZMMHDLAM-UHFFFAOYSA-N,C12H20N2O,208.3,208.1575633,2.2,55.1,246,0,2,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADAMANTANE,000281-23-2,9238,adamantane,C1C2CC3CC1CC(C2)C3,"InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2",ORILYTVJVMAKLC-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.8,0,75,0,0,0,0,10,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ADAMANTANE-D16,030470-60-1,12232063,"1,2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-hexadecadeuterioadamantane",[2H]C1(C2(C(C3(C(C1(C(C(C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])[2H])[2H],"InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D,10D",ORILYTVJVMAKLC-QJESCHDLSA-N,C10H16,152.33,152.2256284,3.8,0,75,0,0,0,0,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Adamantanecarboxylic acid, 1-fluoro-",880-50-2,13431,3-fluoroadamantane-1-carboxylic acid,C1C2CC3(CC1CC(C2)(C3)F)C(=O)O,"InChI=1S/C11H15FO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)",SJULXDNAWKQQEV-UHFFFAOYSA-N,C11H15FO2,198.23,198.1056079,2,37.3,286,0,1,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, alpha-ethyl-, hydrochloride",1483-12-1,2771130,1-(1-adamantyl)propan-1-amine;hydrochloride,CCC(C12CC3CC(C1)CC(C3)C2)N.Cl,"InChI=1S/C13H23N.ClH/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-12H,2-8,14H2,1H3;1H",LBHFJMATUZCGPF-UHFFFAOYSA-N,C13H24ClN,229.79,229.1597275,,26,192,0,2,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Adamantanemethylamine, alpha-methyl-, hydrochloride",1501-84-4,15165,1-(1-adamantyl)ethanamine;hydrochloride,CC(C12CC3CC(C1)CC(C3)C2)N.Cl,"InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H",OZBDFBJXRJWNAV-UHFFFAOYSA-N,C12H22ClN,215.76,215.1440774,,26,180,0,2,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamide, N-(1-adamantyl)-",3405-48-9,18856,N-(1-adamantyl)formamide,C1C2CC3CC1CC(C2)(C3)NC=O,"InChI=1S/C11H17NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2,(H,12,13)",BUPHJFOIWZKPNV-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2.2,29.1,195,0,1,1,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Adamantanamine, N-methyl-",3717-38-2,19476,N-methyladamantan-1-amine,CNC12CC3CC(C1)CC(C3)C2,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3",NZOLSRPWNVZXTK-UHFFFAOYSA-N,C11H19N,165.27,165.1517496,2.4,12,156,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Adamantanamine, N-methyl-, hydrochloride",3717-39-3,19477,N-methyladamantan-1-amine;hydrochloride,CNC12CC3CC(C1)CC(C3)C2.Cl,"InChI=1S/C11H19N.ClH/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11;/h8-10,12H,2-7H2,1H3;1H",MGWTWRYRZDCDBG-UHFFFAOYSA-N,C11H20ClN,201.73,201.1284273,,12,156,0,2,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Adamantanamine, N,N-dimethyl-",3717-40-6,19478,"N,N-dimethyladamantan-1-amine",CN(C)C12CC3CC(C1)CC(C3)C2,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3",NFBYCNFAXLUGBT-UHFFFAOYSA-N,C12H21N,179.3,179.1673997,2.9,3.2,178,0,0,1,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"1-Adamantanamine, N-ethyl-",3717-44-0,19480,N-ethyladamantan-1-amine,CCNC12CC3CC(C1)CC(C3)C2,"InChI=1S/C12H21N/c1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3",VXGGWVBRICYCGO-UHFFFAOYSA-N,C12H21N,179.3,179.1673997,2.8,12,168,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Adamantanecarboxamide,5511-18-2,21686,adamantane-1-carboxamide,C1C2CC3CC1CC(C2)(C3)C(=O)N,"InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)",CKBZJTAMRPPVSR-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2,43.1,218,0,1,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Adamantanamine, hydrochloride",10523-68-9,25331,adamantan-2-amine;hydrochloride,C1C2CC3CC1CC(C2)C3N.Cl,"InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H",WLDWDRZITJEWRJ-UHFFFAOYSA-N,C10H18ClN,187.71,187.1127773,,26,148,0,2,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Adamantanamine, N-methyl-, hydrochloride",10523-69-0,25333,N-methyladamantan-2-amine;hydrochloride,CNC1C2CC3CC(C2)CC1C3.Cl,"InChI=1S/C11H19N.ClH/c1-12-11-9-3-7-2-8(5-9)6-10(11)4-7;/h7-12H,2-6H2,1H3;1H",ZQIAMRFXENPTIN-UHFFFAOYSA-N,C11H20ClN,201.73,201.1284273,,12,159,0,2,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-",13072-69-0,64166,1-adamantylurea,C1C2CC3CC1CC(C2)(C3)NC(=O)N,"InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)",QYYHPAUOLCHORH-UHFFFAOYSA-N,C11H18N2O,194.27,194.1419132,1.6,55.1,233,0,2,1,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tricyclo(3.3.1.1(sup 3,7))decan-1-amine, 3,5-dimethyl-",19982-08-2,4054,"3,5-dimethyladamantan-1-amine",CC12CC3CC(C1)(CC(C3)(C2)N)C,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",BUGYDGFZZOZRHP-UHFFFAOYSA-N,C12H21N,179.3,179.1673997,3.3,26,240,0,1,1,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Adamantanecarboxylic acid, 1-bromo-",21816-08-0,30818,3-bromoadamantane-1-carboxylic acid,C1C2CC3(CC1CC(C2)(C3)Br)C(=O)O,"InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)",DJUDQBVINJIMFO-UHFFFAOYSA-N,C11H15BrO2,259.14,258.02554,2.4,37.3,286,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tricyclo(3.3.1.1(sup 3,7))decane-1,3-diamine, dihydrochloride",26562-81-2,213511,"adamantane-1,3-diamine;dihydrochloride",C1C2CC3(CC1CC(C2)(C3)N)N.Cl.Cl,"InChI=1S/C10H18N2.2ClH/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9;;/h7-8H,1-6,11-12H2;2*1H",JFXXSCYTYFTSNO-UHFFFAOYSA-N,C10H20Cl2N2,239.18,238.100354,,52,190,0,4,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Adamantane, 1-(3-aminopropyl)-, hydrochloride",31897-98-0,35997,3-(1-adamantyl)propan-1-amine;hydrochloride,C1C2CC3CC1CC(C2)(C3)CCCN.Cl,"InChI=1S/C13H23N.ClH/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,1-9,14H2;1H",KWASCACKNUFQKQ-UHFFFAOYSA-N,C13H24ClN,229.79,229.1597275,,26,180,0,2,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Adamantanecarboxylic acid, 1-chloro-",34859-74-0,36971,3-chloroadamantane-1-carboxylic acid,C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)O,"InChI=1S/C11H15ClO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)",GMOBHRQSNDDZAD-UHFFFAOYSA-N,C11H15ClO2,214.69,214.0760574,2.2,37.3,286,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pentanaminium, N,N,N-trimethyl-5-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)-, bromide, hydrobromide",121034-89-7,6604954,5-(1-adamantylmethylamino)pentyl-trimethylazanium;bromide;hydrobromide,C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2.Br.[Br-],"InChI=1S/C19H37N2.2BrH/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19;;/h16-18,20H,4-15H2,1-3H3;2*1H/q+1;;/p-1",CQTDZUSQSTUZDA-UHFFFAOYSA-M,C19H38Br2N2,454.3,454.13812,,12,301,0,2,2,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tricyclo(3.3.1.1(sup 3,7))decan-1-amine, 3,5-dimethyl-, hydrochloride",,181458,"3,5-dimethyladamantan-1-amine;hydrochloride",CC12CC3CC(C1)(CC(C3)(C2)N)C.Cl,"InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H",LDDHMLJTFXJGPI-UHFFFAOYSA-N,C12H22ClN,215.76,215.1440774,,26,240,0,2,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXANITROSTILBENE,020062-22-0,253628,"1,3,5-trinitro-2-[2-(2,4,6-trinitrophenyl)ethenyl]benzene",C1=C(C=C(C(=C1[N+](=O)[O-])C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H,YSIBQULRFXITSW-UHFFFAOYSA-N,C14H6N6O12,450.23,450.0043697,3.2,275,714,0,0,12,2,32,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-ACETAMIDO-4'-ISOTHIOCYANATOSTILBENE-2, 2'-DISULFONIC ACID, DISODIUM SALT",051023-76-8,5702774,disodium;5-acetamido-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate,CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b3-2+;;",NPAWAMRXPHRVQY-WTVBWJGASA-L,C17H12N2Na2O7S3,498.5,497.9602028,,205,856,0,1,9,4,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
TRANS-STILBENE,000103-30-0,638088,(E)-stilbene,C1=CC=C(C=C1)/C=C/C2=CC=CC=C2,InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+,PJANXHGTPQOBST-VAWYXSNFSA-N,C14H12,180.24,180.0939004,4.8,0,148,0,0,0,2,14,,"583 to 585 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PINOSYLVIN,022139-77-1,5280457,"5-[(E)-2-phenylethenyl]benzene-1,3-diol",C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",YCVPRTHEGLPYPB-VOTSOKGWSA-N,C14H12O2,212.24,212.0837296,3.5,40.5,221,0,2,2,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PINOSYLVIN MONO METHYL ETHER,035302-70-6,5281719,3-methoxy-5-[(E)-2-phenylethenyl]phenol,COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",JVIXPWIEOVZVJC-BQYQJAHWSA-N,C15H14O2,226.27,226.0993797,3.8,29.5,243,0,1,2,3,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROSTILBENE,004003-94-5,639659,1-nitro-4-[(E)-2-phenylethenyl]benzene,C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+,ZISCOWXWCHUSMH-VOTSOKGWSA-N,C14H11NO2,225.24,225.0789786,4.5,45.8,268,0,0,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BROMOSTILBENE,004714-24-3,5374623,1-bromo-4-[(E)-2-phenylethenyl]benzene,C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Br,InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+,ZZMMKLVIBZWGPK-VOTSOKGWSA-N,C14H11Br,259.14,258.00441,5.1,0,195,0,0,0,2,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-(ETHENE-1,2-DIYL)BIS(2-METHOXYPHENOL)",007329-69-3,5280698,4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol,COC1=C(C=CC(=C1)/C=C/C2=CC(=C(C=C2)O)OC)O,"InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+",KQPXJFAYGYIGRU-ONEGZZNKSA-N,C16H16O4,272.29,272.104859,3.4,58.9,288,0,2,4,4,20,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-DIAMINO-2,2'-STILBENEDISULFONIC ACID",000081-11-8,6668,5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid,C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O,"InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)",REJHVSOVQBJEBF-UHFFFAOYSA-N,C14H14N2O6S2,370.4,370.0293285,0.3,178,606,0,4,8,4,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETONITRILE, .ALPHA.-(PHENYLMETHYLENE)-",002510-95-4,1268120,"(E)-2,3-diphenylprop-2-enenitrile",C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2,InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-,VFOKYTYWXOYPOX-PTNGSMBKSA-N,C15H11N,205.25,205.0891494,3.7,23.8,282,0,0,1,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-[2-(4-AMINOPHENYL)ETHENYL]-N,N-DIMETHYL-",022525-43-5,90796,4-[2-[4-(dimethylamino)phenyl]ethenyl]aniline,CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N,"InChI=1S/C16H18N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,17H2,1-2H3",GCHSJPKVJSMRDX-UHFFFAOYSA-N,C16H18N2,238.33,238.1469986,3.6,29.3,256,0,1,2,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PICEATANNOL,010083-24-6,667639,"4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol",C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",CDRPUGZCRXZLFL-OWOJBTEDSA-N,C14H12O4,244.24,244.0735589,2.9,80.9,282,0,4,4,2,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RESVERATROL,000501-36-0,445154,"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",LUKBXSAWLPMMSZ-OWOJBTEDSA-N,C14H12O3,228.24,228.0786442,3.1,60.7,246,0,3,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISORHAPONTIGENIN,032507-66-7,5318650,"5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol",COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",ANNNBEZJTNCXHY-NSCUHMNNSA-N,C15H14O4,258.27,258.0892089,3.2,69.9,295,0,3,4,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIAMINOSTILBENE DIHYDROCHLORIDE",054760-75-7,11954176,4-[(E)-2-(4-aminophenyl)ethenyl]aniline;dihydrochloride,C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)N)N.Cl.Cl,"InChI=1S/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H/b2-1+;;",QHDAFTKIEDDTPV-SEPHDYHBSA-N,C14H16Cl2N2,283.2,282.0690539,,52,197,0,4,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-STILBENE,000645-49-8,5356785,(Z)-stilbene,C1=CC=C(C=C1)/C=C\C2=CC=CC=C2,InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-,PJANXHGTPQOBST-QXMHVHEDSA-N,C14H12,180.24,180.0939004,4.8,0,148,0,0,0,2,14,,"293 °F at 13 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CIS-ALPHA-PHENYLCINNAMIC ACID,000091-48-5,700620,"(E)-2,3-diphenylprop-2-enoic acid",C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)O,"InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+",BIDDLDNGQCUOJQ-SDNWHVSQSA-N,C15H12O2,224.25,224.0837296,3.5,37.3,281,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(2-(4-(N,N-DIMETHYLAMINO)PHENYL)ETHENYL)-1-NITROBENZENE",004584-57-0,5377793,"N,N-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline",CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C16H16N2O2/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(19)20/h3-12H,1-2H3/b4-3+",NVLSIZITFJRWPY-ONEGZZNKSA-N,C16H16N2O2,268.31,268.1211778,4.5,49.1,333,0,0,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLSTILBESTROL,000056-53-1,448537,4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol,CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",RGLYKWWBQGJZGM-ISLYRVAYSA-N,C18H20O2,268.3,268.1463299,5.1,40.5,286,0,2,2,4,20,,,1,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZENESULFONIC ACID, 5-AMINO-2-[2-(4-NITRO-2-SULFOPHENYL)ETHENYL]-",000119-72-2,5473847,5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid,C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C14H12N2O8S2/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)/b2-1+",GHBWBMDGBCKAQU-OWOJBTEDSA-N,C14H12N2O8S2,400.4,400.0035077,0.8,197,747,0,3,9,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-Stilbenedicarboxamidine",122-06-5,5351747,4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide,C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=N)N)C(=N)N,"InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+",MMURVNDSFNJHAM-OWOJBTEDSA-N,C16H16N4,264.32,264.1374965,2.1,99.7,336,0,4,2,4,20,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-Stilbenedisulfonic acid, 4,4'-dinitro-",128-42-7,5282251,5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+",UETHPMGVZHBAFB-OWOJBTEDSA-N,C14H10N2O10S2,430.4,429.9776869,1.3,217,761,0,2,10,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, (E)-",130-80-3,657220,[4-[(E)-4-(4-propanoyloxyphenyl)hex-3-en-3-yl]phenyl] propanoate,CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC,"InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+",VZMLEMYJUIIHNF-QURGRASLSA-N,C24H28O4,380.5,380.1987594,6.2,52.6,487,0,0,4,10,28,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 4-((1E)-2-(3,5-dimethoxyphenyl)ethenyl)-",537-42-8,5281727,"4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol",COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC,"InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+",VLEUZFDZJKSGMX-ONEGZZNKSA-N,C16H16O3,256.3,256.1099444,3.8,38.7,270,0,1,3,4,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,1'-(1,2-ethenediyl)bis(4-nitro-, (E)-",736-31-2,5377860,1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene,C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+,CLVIIRIMEIEKOQ-OWOJBTEDSA-N,C14H10N2O4,270.24,270.0640568,3.8,91.6,334,0,0,4,2,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-Stilbenamine,834-24-2,1272788,4-[(E)-2-phenylethenyl]aniline,C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N,"InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2/b7-6+",VFPLSXYJYAKZCT-VOTSOKGWSA-N,C14H13N,195.26,195.1047994,3.8,26,195,0,1,1,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Stilbenamine, N,N-dimethyl-, (E)-",838-95-9,640024,"N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline",CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2,"InChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+",XGHHHPDRXLIMPM-CMDGGOBGSA-N,C16H17N,223.31,223.1360995,4.6,3.2,230,0,0,1,3,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stilbene, alpha-nitro-",1215-07-2,2818500,[(Z)-2-nitro-2-phenylethenyl]benzene,C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\[N+](=O)[O-],InChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-,QIFBVYLHLLTNLI-KAMYIIQDSA-N,C14H11NO2,225.24,225.0789786,3.8,45.8,281,0,0,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrylonitrile, 2-(p-chlorophenyl)-3-phenyl-",3695-93-0,736230,(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile,C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl,InChI=1S/C15H10ClN/c16-15-8-6-13(7-9-15)14(11-17)10-12-4-2-1-3-5-12/h1-10H/b14-10+,JJGLLZWUWIKTAG-GXDHUFHOSA-N,C15H10ClN,239.7,239.050177,4.3,23.8,311,0,0,1,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Acrylonitrile, 2,3-bis(p-chlorophenyl)-",3695-94-1,19419,"2,3-bis(4-chlorophenyl)prop-2-enenitrile",C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C15H9Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-9H,YWNTXOMZGAMPDE-UHFFFAOYSA-N,C15H9Cl2N,274.1,273.0112047,5,23.8,339,0,0,1,2,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-nitro-, sodium salt (1:2)",3709-43-1,6433384,disodium;5-nitro-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C14H10N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b2-1+;;",SDCDTWFAOKXZHD-SEPHDYHBSA-L,C14H8N2Na2O10S2,474.3,473.9415754,,223,735,0,0,10,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 4-(2-(4-methoxyphenyl)ethenyl)-",7570-37-8,5376491,4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline,COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N,"InChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3/b3-2+",FUKHOQPXEPBRFC-NSCUHMNNSA-N,C15H15NO,225.28,225.1153641,3.5,35.3,235,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Stilbene, alpha,alpha'-diethyl-4,4'-dimethoxy-",7773-34-4,3032539,1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene,CC/C(=C(/CC)\C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC,"InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+",VQOAQMIKPYNCMV-FMQUCBEESA-N,C20H24O2,296.4,296.17763,5.7,18.5,311,0,0,2,6,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,3-dimethoxy-5-((2E)-2-(4-methoxyphenyl)ethenyl)-",22255-22-7,5388063,"1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene",COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC,"InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+",GDHNBPHYVRHYCC-SNAWJCMRSA-N,C17H18O3,270.32,270.1255944,4.1,27.7,283,0,0,3,5,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 5-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dimethoxy-",24144-92-1,5354004,"1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene",COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC,"InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+",JDBCWSHYEQUBLW-AATRIKPKSA-N,C18H20O4,300.3,300.1361591,4.1,36.9,332,0,0,4,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenediol, 4-((1E)-2-(3,5-dihydroxyphenyl)ethenyl)-",29700-22-9,5281717,"4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol",C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O,"InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+",PDHAOJSHSJQANO-OWOJBTEDSA-N,C14H12O4,244.24,244.0735589,2.8,80.9,282,0,4,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-((1E)-2-(4-hydroxyphenyl)ethenyl)-",63877-76-9,10171348,3-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol,C1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O,"InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+",UFGKEFGYNRJIGO-SNAWJCMRSA-N,C14H12O2,212.24,212.0837296,3.5,40.5,229,0,2,2,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-",117048-59-6,5351344,"2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol",COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O,"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-",HVXBOLULGPECHP-WAYWQWQTSA-N,C18H20O5,316.3,316.1310737,3.7,57.2,358,0,1,5,6,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, 2,2'-((E)-1,2-ethenediyl)bis(5-isothiocyanato-",152216-76-7,40600,5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid,C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O,"InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)",YSCNMFDFYJUPEF-UHFFFAOYSA-N,C16H10N2O6S4,454.5,453.9421707,4.5,214,818,0,2,10,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-amino-3-hydroxy-N-(2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl)-, monohydrochloride, (2S)-",253426-24-3,6918404,"(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide;hydrochloride",COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N.Cl,"InChI=1S/C21H26N2O6.ClH/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3;/h5-11,15,24H,12,22H2,1-4H3,(H,23,25);1H/b6-5-;/t15-;/m0./s1",UQNRTPFLTRZEIM-MRWUDIQNSA-N,C21H27ClN2O6,438.9,438.1557643,,112,517,0,4,7,9,30,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"2,3-DICHLORO-5,6-DICYANO-1,4-BENZOQUINONE",000084-58-2,6775,"4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile",C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N,InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13,HZNVUJQVZSTENZ-UHFFFAOYSA-N,C8Cl2N2O2,227,225.9336826,1.6,81.7,464,0,0,4,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIONE",000137-18-8,8718,"2,5-dimethylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C(=CC1=O)C,"InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",MYKLQMNSFPAPLZ-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.3,34.1,228,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-CYCLOHEXADIENE-1,4-DIONE, 2,3,5-TRIMETHYL-",000935-92-2,70291,"2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C(=C(C1=O)C)C,"InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3",QIXDHVDGPXBRRD-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.8,34.1,293,0,0,2,0,11,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-CYCLOHEXADIENE-1,2-DICARBONITRILE, 3,6-DIOXO-",004622-04-2,78362,"3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile",C1=CC(=O)C(=C(C1=O)C#N)C#N,InChI=1S/C8H2N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,DNXUGBMARDFRGG-UHFFFAOYSA-N,C8H2N2O2,158.11,158.0116273,-0.1,81.7,382,0,0,4,0,12,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINONE,000106-51-4,4650,"cyclohexa-2,5-diene-1,4-dione",C1=CC(=O)C=CC1=O,InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,AZQWKYJCGOJGHM-UHFFFAOYSA-N,C6H4O2,108.09,108.0211294,0.2,34.1,149,0,0,2,0,8,"559 °F (NTP, 1992)","SUBLIMES (NTP, 1992)",1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLBENZOQUINONE",000527-61-7,68241,"2,6-dimethylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C=C(C1=O)C,"InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3",SENUUPBBLQWHMF-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.2,34.1,232,0,0,2,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM CHLORANILATE,013435-46-6,83446,"barium(2+);2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate",C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Ba+2],"InChI=1S/C6H2Cl2O4.Ba/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2/p-2",IPBSAQBBXCGJQG-UHFFFAOYSA-L,C6BaCl2O4,344.29,343.822611,,80.3,275,0,0,4,0,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIHYDROXY-2,5-CYCLOHEXADIENE-1,4-DIONE",000615-94-1,69213,"2,5-dihydroxycyclohexa-2,5-diene-1,4-dione",C1=C(C(=O)C=C(C1=O)O)O,"InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H",QFSYADJLNBHAKO-UHFFFAOYSA-N,C6H4O4,140.09,140.0109586,-0.3,74.6,231,0,2,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECYL-PLASTOQUINONE,112055-76-2,5158539,"5-decyl-2,3-dimethylcyclohexa-2,5-diene-1,4-dione",CCCCCCCCCCC1=CC(=O)C(=C(C1=O)C)C,"InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)14(2)15(3)18(16)20/h13H,4-12H2,1-3H3",APNQQQRDLMWNLM-UHFFFAOYSA-N,C18H28O2,276.4,276.2089301,6.6,34.1,413,0,0,2,9,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THYMOQUINONE,000490-91-5,10281,"2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C(=CC1=O)C(C)C,"InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3",KEQHJBNSCLWCAE-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2,34.1,293,0,0,2,1,12,,230.00 to 232.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DICHLOROQUINONE",000697-91-6,12771,"2,6-dichlorocyclohexa-2,5-diene-1,4-dione",C1=C(C(=O)C(=CC1=O)Cl)Cl,InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,JCARTGJGWCGSSU-UHFFFAOYSA-N,C6H2Cl2O2,176.98,175.9431847,1.7,34.1,239,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLUQUINONE,000553-97-9,11122,"2-methylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C=CC1=O,"InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",VTWDKFNVVLAELH-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,0.7,34.1,221,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-P-BENZOQUINONE,000695-99-8,69671,"2-chlorocyclohexa-2,5-diene-1,4-dione",C1=CC(=O)C(=CC1=O)Cl,InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H,WOGWYSWDBYCVDY-UHFFFAOYSA-N,C6H3ClO2,142.54,141.982157,0.8,34.1,225,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORANILIC ACID,000087-88-7,66604,"2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O,"InChI=1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H",IPPWILKGXFOXHO-UHFFFAOYSA-N,C6H2Cl2O4,208.98,207.9330139,1.4,74.6,305,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRAFLUORO-1,4-BENZOQUINONE",000527-21-9,68239,"2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)F)F)F)F,InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,JKLYZOGJWVAIQS-UHFFFAOYSA-N,C6F4O2,180.06,179.9834419,1.3,34.1,277,0,0,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRABROMO-1,4-BENZOQUINONE",000488-48-2,68101,"2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br,InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,LWHDQPLUIFIFFT-UHFFFAOYSA-N,C6Br4O2,423.68,423.65908,3.6,34.1,277,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIBROMO-6-ISOPROPYL-3-METHYL-1,4-BENZOQUINONE",029096-93-3,34474,"2,5-dibromo-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione",CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br,"InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3",GHHZELQYJPWSMG-UHFFFAOYSA-N,C10H10Br2O2,321.99,321.90271,3.3,34.1,376,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHYDROXYQUINONE,000319-89-1,5424,"2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)O)O)O)O,"InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H",DGQOCLATAPFASR-UHFFFAOYSA-N,C6H4O6,172.09,172.0007878,-0.6,115,272,0,4,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRAHYDROXY-1, 4-QUINONE HYDRATE",123334-16-7,6420048,"2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione;hydrate",C1(=C(C(=O)C(=C(C1=O)O)O)O)O.O,"InChI=1S/C6H4O6.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8,11-12H;1H2",CJFTUKFVMMYYHH-UHFFFAOYSA-N,C6H6O7,190.11,190.0113525,,116,272,0,5,7,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DUROQUINONE,000527-17-3,68238,"2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione",CC1=C(C(=O)C(=C(C1=O)C)C)C,InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3,WAMKWBHYPYBEJY-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.2,34.1,268,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DICHLORO-P-BENZOQUINONE",000615-93-0,12011,"2,5-dichlorocyclohexa-2,5-diene-1,4-dione",C1=C(C(=O)C=C(C1=O)Cl)Cl,InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,LNXVNZRYYHFMEY-UHFFFAOYSA-N,C6H2Cl2O2,176.98,175.9431847,1.7,34.1,235,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIBROMO-1,4-BENZOQUINONE",001633-14-3,543093,"2,5-dibromocyclohexa-2,5-diene-1,4-dione",C1=C(C(=O)C=C(C1=O)Br)Br,InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,KNPAQJBQOIAPBP-UHFFFAOYSA-N,C6H2Br2O2,265.89,265.84011,1.8,34.1,235,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE",000530-55-2,68262,"2,6-dimethoxycyclohexa-2,5-diene-1,4-dione",COC1=CC(=O)C=C(C1=O)OC,"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",OLBNOBQOQZRLMP-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,-0.1,52.6,259,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAAMINOCYCLOHEXA-2,5-DIENE-1,4-DIONE",001128-13-8,12779277,"2,3,5,6-tetraaminocyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)N)N)N)N,InChI=1S/C6H8N4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h7-10H2,DNHCPEFCQYRQQN-UHFFFAOYSA-N,C6H8N4O2,168.15,168.0647255,-1.9,138,277,0,4,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-CYCLOHEXADIENE-1,4-DIONE, 2,6-BIS(1,1-DIMETHYLETHYL)-",000719-22-2,12867,"2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",RDQSIADLBQFVMY-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.4,34.1,359,0,0,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS(1,1-DIMETHYLETHYL)-",002460-77-7,17161,"2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,"InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3",ZZYASVWWDLJXIM-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.4,34.1,355,0,0,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-DIBROMO-3,6-DIHYDROXY-",004370-59-6,78078,"2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)Br)O)Br)O,"InChI=1S/C6H2Br2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H",GMZWPTALVQRAFV-UHFFFAOYSA-N,C6H2Br2O4,297.89,297.82993,1.5,74.6,305,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLORANIL,000118-75-2,8371,"2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,UGNWTBMOAKPKBL-UHFFFAOYSA-N,C6Cl4O2,245.9,245.86229,3.4,34.1,277,0,0,2,0,12,,"Sublimes (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"p-Benzoquinone, 2,5-dihydroxy-3-undecyl-",000550-24-3,3218,"2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione",CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O,"InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3",IRSFLDGTOHBADP-UHFFFAOYSA-N,C17H26O4,294.4,294.1831093,5.4,74.6,432,0,2,4,10,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"p-Benzoquinone, 2,3-dimethyl-",526-86-3,10688,"2,3-dimethylcyclohexa-2,5-diene-1,4-dione",CC1=C(C(=O)C=CC1=O)C,"InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3",AIACLXROWHONEE-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.2,34.1,230,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Benzoquinone, 2-methoxy-5-methyl-",614-13-1,11958,"2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C(=CC1=O)OC,"InChI=1S/C8H8O3/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3",VJVOAGLABGZRSL-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.6,43.4,271,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Cyclohexadiene-1,4-dione, 2,3,5-trichloro-",634-85-5,69453,"2,3,5-trichlorocyclohexa-2,5-diene-1,4-dione",C1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl,InChI=1S/C6HCl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H,KSFNQTZBTVALRV-UHFFFAOYSA-N,C6HCl3O2,211.4,209.904212,2.5,34.1,301,0,0,2,0,11,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Benzoquinone, 2-tert-butyl-",3602-55-9,19211,"2-tert-butylcyclohexa-2,5-diene-1,4-dione",CC(C)(C)C1=CC(=O)C=CC1=O,"InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3",NCCTVAJNFXYWTM-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2,34.1,287,0,0,2,1,12,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Benzoquinone, 2,5-diamino-3,6-dichloro-",3908-48-3,77512,"2,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dione",C1(=C(C(=O)C(=C(C1=O)Cl)N)Cl)N,InChI=1S/C6H4Cl2N2O2/c7-1-3(9)6(12)2(8)4(10)5(1)11/h9-10H2,QLHPOTDBWHTTBM-UHFFFAOYSA-N,C6H4Cl2N2O2,207.01,205.9649828,0.8,86.2,309,0,2,4,0,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Benzoquinone, 2-iodo-",3958-83-6,77570,"2-iodocyclohexa-2,5-diene-1,4-dione",C1=CC(=O)C(=CC1=O)I,InChI=1S/C6H3IO2/c7-5-3-4(8)1-2-6(5)9/h1-3H,FFJVYLVTPMHYQP-UHFFFAOYSA-N,C6H3IO2,233.99,233.91778,1,34.1,225,0,0,2,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-",58186-27-9,3686,"2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO,"InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3",JGPMMRGNQUBGND-UHFFFAOYSA-N,C19H30O5,338.4,338.2093241,4.3,72.8,502,0,1,5,12,24,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-",80809-81-0,1967,"2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione",CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C,"InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3",WDEABJKSGGRCQA-UHFFFAOYSA-N,C21H26O3,326.4,326.1881947,3.9,54.4,692,0,1,3,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Undecanoic acid, 2-((4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene)-, (2E)-",136164-66-4,6439397,"(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid",CCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O,"InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+",AALSSIXXBDPENJ-FYWRMAATSA-N,C21H30O6,378.5,378.2042387,5.3,89.9,666,0,1,6,12,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXYPYRIDINE,000142-08-5,8871,1H-pyridin-2-one,C1=CC(=O)NC=C1,"InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",UBQKCCHYAOITMY-UHFFFAOYSA-N,C5H5NO,95.1,95.03711378,-0.6,29.1,135,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyridinone, 3,5,6-trichloro-",006515-38-4,23017,"3,5,6-trichloro-1H-pyridin-2-one",C1=C(C(=O)NC(=C1Cl)Cl)Cl,"InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)",WCYYAQFQZQEUEN-UHFFFAOYSA-N,C5H2Cl3NO,198.43,196.920197,3.2,29.1,243,0,1,1,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXY-4-METHYL-5-NITROPYRIDINE,021901-41-7,345371,4-methyl-5-nitro-1H-pyridin-2-one,CC1=CC(=O)NC=C1[N+](=O)[O-],"InChI=1S/C6H6N2O3/c1-4-2-6(9)7-3-5(4)8(10)11/h2-3H,1H3,(H,7,9)",AIEHUZHKFUNHCJ-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,-0.3,74.9,272,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-2-PYRIDONE,000694-85-9,12755,1-methylpyridin-2-one,CN1C=CC=CC1=O,"InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3",DVVGIUUJYPYENY-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,-0.2,20.3,158,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HYDROXY-6-OXO-1,6-DIHYDROPYRIDINE-2-CARBOXYLIC ACID",094781-89-2,11084106,1-hydroxy-6-oxopyridine-2-carboxylic acid,C1=CC(=O)N(C(=C1)C(=O)O)O,"InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(9)10)7(5)11/h1-3,11H,(H,9,10)",QJEZBSWVHDOAFS-UHFFFAOYSA-N,C6H5NO4,155.11,155.0218576,0.2,77.8,266,0,2,4,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIDINONE, 3,5-DINITRO-",002980-33-8,76324,"3,5-dinitro-1H-pyridin-2-one",C1=C(C(=O)NC=C1[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)",KSZZJOXNRQKULB-UHFFFAOYSA-N,C5H3N3O5,185.09,185.0072702,-0.2,121,344,0,1,5,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBONITRILE, 1,2-DIHYDRO-6-HYDROXY-1,4-DIMETHYL-2-OXO-",027074-03-9,113347,"2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile",CC1=CC(=O)N(C(=C1C#N)O)C,"InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,12H,1-2H3",PJKGLFXXEKCAIE-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,0.1,64.3,343,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINECARBONITRILE, 1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-",028141-13-1,119879,1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile,CCN1C(=O)C=C(C(=C1O)C#N)C,"InChI=1S/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,13H,3H2,1-2H3",YSNMMQRIPFUHAO-UHFFFAOYSA-N,C9H10N2O2,178.19,178.0742276,0.5,64.3,357,0,1,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2",068890-66-4,50258,"2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one",CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.C(CO)N,"InChI=1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2",BTSZTGGZJQFALU-UHFFFAOYSA-N,C16H30N2O3,298.42,298.2256428,,86.8,371,0,3,4,5,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYNICOTINIC ACID,000609-71-2,69114,2-oxo-1H-pyridine-3-carboxylic acid,C1=CNC(=O)C(=C1)C(=O)O,"InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)",UEYQJQVBUVAELZ-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,0.5,66.4,239,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CITRAZINIC ACID,000099-11-6,7425,2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid,C1=C(C=C(NC1=O)O)C(=O)O,"InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)",CSGQJHQYWJLPKY-UHFFFAOYSA-N,C6H5NO4,155.11,155.0218576,-0.7,86.6,276,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXYNICOTINIC ACID,005006-66-6,72924,6-oxo-1H-pyridine-3-carboxylic acid,C1=CC(=O)NC=C1C(=O)O,"InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)",BLHCMGRVFXRYRN-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,-0.5,66.4,239,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-3-NITROPYRIDINE,006332-56-5,22793,3-nitro-1H-pyridin-2-one,C1=CNC(=O)C(=C1)[N+](=O)[O-],"InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)",BOAFCICMVMFLIT-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,0.2,74.9,236,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-6-METHYLPYRIDINE,003279-76-3,76772,6-methyl-1H-pyridin-2-one,CC1=CC=CC(=O)N1,"InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)",JEAVIRYCMBDJIU-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.6,29.1,167,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-5-NITROPYRIDINE,005418-51-9,79453,5-nitro-1H-pyridin-2-one,C1=CC(=O)NC=C1[N+](=O)[O-],"InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)",XKWSQIMYNVLGBO-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,-0.2,74.9,236,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIHYDROXY-4-METHYL-3-PYRIDINE CARBONITRILE",005444-02-0,79516,2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile,CC1=CC(=O)NC(=C1C#N)O,"InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)",YRGYYQCOWUULNF-UHFFFAOYSA-N,C7H6N2O2,150.13,150.0429274,0,73.1,317,0,2,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-CHLORO-6-HYDROXYNICOTINIC ACID,054127-63-8,599541,5-chloro-6-oxo-1H-pyridine-3-carboxylic acid,C1=C(C(=O)NC=C1C(=O)O)Cl,"InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)",OLTRUTPHSBQWAZ-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,0.3,66.4,280,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIHYDROXYPYRIDINE",000626-03-9,54696004,4-hydroxy-1H-pyridin-2-one,C1=CNC(=O)C=C1O,"InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)",ZEZJPIDPVXJEME-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-0.4,49.3,169,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXY-2-PYRIDINECARBOXYLIC ACID,019621-92-2,242721,6-oxo-1H-pyridine-2-carboxylic acid,C1=CC(=O)NC(=C1)C(=O)O,"InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)",VRCWSYYXUCKEED-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,-0.1,66.4,239,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC ACID",015506-18-0,1201510,1-methyl-2-oxopyridine-3-carboxylic acid,CN1C=CC=C(C1=O)C(=O)O,"InChI=1S/C7H7NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)",DFAQSHLYVFQOJM-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.7,57.6,265,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIDINONE, 3,5-DICHLORO-",005437-33-2,79496,"3,5-dichloro-1H-pyridin-2-one",C1=C(C(=O)NC=C1Cl)Cl,"InChI=1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)",ZICOPWJJZSJEDL-UHFFFAOYSA-N,C5H3Cl2NO,163.99,162.9591691,1.4,29.1,207,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYPYRIDINE 1-OXIDE,013161-30-3,69975,1-hydroxypyridin-2-one,C1=CC(=O)N(C=C1)O,"InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H",SNUSZUYTMHKCPM-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-0.7,40.5,160,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-6-METHYLPYRIDINE-3-CARBOXYLIC ACID,038116-61-9,94960,6-methyl-2-oxo-1H-pyridine-3-carboxylic acid,CC1=CC=C(C(=O)N1)C(=O)O,"InChI=1S/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)",XRIHTJYXIHOBDQ-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.9,66.4,275,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinonitrile, 1,2-dihydro-4-methoxy-1-methyl-2-oxo-",524-40-3,10666,4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile,CN1C=CC(=C(C1=O)C#N)OC,"InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3",PETSAYFQSGAEQY-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,0,53.3,319,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-",769-28-8,69856,"4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile",CC1=CC(=C(C(=O)N1)C#N)C,"InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)",OCYMJCILWYHKAU-UHFFFAOYSA-N,C8H8N2O,148.16,148.0636629,0.4,52.9,314,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Pyridinediol",1/8/54,99456,5-hydroxy-1H-pyridin-2-one,C1=CC(=O)NC=C1O,"InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)",CHGPEDOMXOLANF-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-0.4,49.3,169,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Pyridinediol, 5-chloro-",53233-89-9,97629,5-chloro-3-hydroxy-1H-pyridin-2-one,C1=C(C(=O)NC=C1Cl)O,"InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)",AJGLCXBDYCEVIE-UHFFFAOYSA-N,C5H4ClNO2,145.54,144.9930561,0.4,49.3,207,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(2-hydroxynicotinoyl)-",76980-30-8,53562,2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid,C1=CNC(=O)C(=C1)C(=O)NCC(=O)O,"InChI=1S/C8H8N2O4/c11-6(12)4-10-8(14)5-2-1-3-9-7(5)13/h1-3H,4H2,(H,9,13)(H,10,14)(H,11,12)",GRIBBPWZJUZGBB-UHFFFAOYSA-N,C8H8N2O4,196.16,196.0484067,-0.2,95.5,343,0,3,4,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarbonitrile, 1,2-dihydro-4-(dimethylamino)-6-methyl-2-oxo-",98694-78-1,660920,4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile,CC1=CC(=C(C(=O)N1)C#N)N(C)C,"InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13)",BMQKSNHUDFPJNN-UHFFFAOYSA-N,C9H11N3O,177.2,177.090212,0.4,56.1,354,0,1,3,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2(1H)-Pyridinone, 4-(dimethylamino)-6-methyl-",137440-96-1,3071508,4-(dimethylamino)-6-methyl-1H-pyridin-2-one,CC1=CC(=CC(=O)N1)N(C)C,"InChI=1S/C8H12N2O/c1-6-4-7(10(2)3)5-8(11)9-6/h4-5H,1-3H3,(H,9,11)",PPPYULUVIYHEJZ-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,0.4,32.3,238,0,1,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Nicotinic acid, 5,6-dihydroxy-",,3029553,5-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid,C1=C(C(=O)NC=C1C(=O)O)O,"InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-7-5(4)9/h1-2,8H,(H,7,9)(H,10,11)",GNZULNKSXZNZBO-UHFFFAOYSA-N,C6H5NO4,155.11,155.0218576,-0.7,86.6,276,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBONITRILE, 1,2-DIHYDRO-6-METHYL-2-OXO-",004241-27-4,77919,6-methyl-2-oxo-1H-pyridine-3-carbonitrile,CC1=CC=C(C(=O)N1)C#N,"InChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)",FIMGYEKEYXUTGD-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,0.5,52.9,277,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-HYDROXYNICOTINATE,010128-91-3,579028,methyl 2-oxo-1H-pyridine-3-carboxylate,COC(=O)C1=CC=CNC1=O,"InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9)",SILBTMNCGYLTOK-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.3,55.4,252,0,1,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYPYRIDINE",016867-04-2,28115,3-hydroxy-1H-pyridin-2-one,C1=CNC(=O)C(=C1)O,"InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)",GGOZGYRTNQBSSA-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0.1,49.3,169,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-4-METHYLPYRIDINE,013466-41-6,280741,4-methyl-1H-pyridin-2-one,CC1=CC(=O)NC=C1,"InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)",YBDRFJXGJQULGH-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.1,29.1,167,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBONITRILE, 1-BUTYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-",039108-47-9,170159,1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile,CCCCN1C(=O)C=C(C(=C1O)C#N)C,"InChI=1S/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,15H,3-5H2,1-2H3",JSCJSXHNBIXPBU-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,1.4,64.3,385,0,1,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Pyridinediol, 3,4-dimethyl-",84540-47-6,10313171,"6-hydroxy-4,5-dimethyl-1H-pyridin-2-one",CC1=CC(=O)NC(=C1C)O,"InChI=1S/C7H9NO2/c1-4-3-6(9)8-7(10)5(4)2/h3H,1-2H3,(H2,8,9,10)",KIEGFAYDOKCBOK-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,-0.1,49.3,238,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HEXAMETHYLENEIMINE,000111-49-9,8119,azepane,C1CCCNCC1,"InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2",ZSIQJIWKELUFRJ-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.2,12,37,0,1,1,0,7,"99 °F (USCG, 1999)","270 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1H-Azepine, hexahydro-1-nitroso-",000932-83-2,13613,1-nitrosoazepane,C1CCCN(CC1)N=O,InChI=1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2,UZMVSVHUTOAPTD-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,0.9,32.7,87,0,0,3,0,9,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-AZEPINE-1-PROPANOIC ACID, HEXAHYDRO-, 2,2-BIS[[(1-OXO-2-PROPENYL)OXY]METHYL",073003-78-8,3085920,"2,2-bis(prop-2-enoyloxymethyl)butyl 3-(azepan-1-yl)propanoate",CCC(COC(=O)CCN1CCCCCC1)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C21H33NO6/c1-4-18(23)26-15-21(6-3,16-27-19(24)5-2)17-28-20(25)11-14-22-12-9-7-8-10-13-22/h4-5H,1-2,6-17H2,3H3",HZGOAUDVKRQMPN-UHFFFAOYSA-N,C21H33NO6,395.5,395.2307878,3.3,82.1,513,0,0,7,15,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propionitrile, 3-(hexahydro-1H-azepin-1-yl)-",937-51-9,70302,3-(azepan-1-yl)propanenitrile,C1CCCN(CC1)CCC#N,"InChI=1S/C9H16N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-5,7-9H2",GDQLRKPUJAWNNP-UHFFFAOYSA-N,C9H16N2,152.24,152.1313485,1.2,27,137,0,0,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-",3194-43-2,76663,4-(azepan-1-yl)butanenitrile,C1CCCN(CC1)CCCC#N,"InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2",OQPSAQBHEQYYMJ-UHFFFAOYSA-N,C10H18N2,166.26,166.1469986,1.5,27,148,0,0,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Azepine, hexahydro-1-amino-",5906-35-4,22198,azepan-1-amine,C1CCCN(CC1)N,InChI=1S/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2,UGBKOURNNQREPE-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,0.1,29.3,55,0,1,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride",26487-67-2,24188283,1-(2-chloroethyl)azepane;hydrochloride,C1CCCN(CC1)CCCl.Cl,InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H,ZQDSOUPBYJIPNM-UHFFFAOYSA-N,C8H17Cl2N,198.13,197.0738049,,3.2,77,0,1,1,2,11,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLINATE,002212-67-1,16653,S-ethyl azepane-1-carbothioate,CCSC(=O)N1CCCCCC1,"InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3",DEDOPGXGGQYYMW-UHFFFAOYSA-N,C9H17NOS,187.3,187.1030853,3.2,45.6,141,0,0,2,2,12,139 °C (OC),136.5 °C @ 10 mm Hg,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0