primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
METHYLENEDIPHOSPHONIC ACID | 001984-15-2 | 16,124 | phosphonomethylphosphonic acid | C(P(=O)(O)O)P(=O)(O)O | InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) | MBKDYNNUVRNNRF-UHFFFAOYSA-N | CH6O6P2 | 176 | 175.963962 | -3.3 | 115 | 151 | 0 | 4 | 6 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALUMINUM IODIDE | 007784-23-8 | 82,222 | triiodoalumane | [Al](I)(I)I | InChI=1S/Al.3HI/h;3*1H/q+3;;;/p-3 | CECABOMBVQNBEC-UHFFFAOYSA-K | AlI3 | 407.6949 | 407.695 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-CHLORO-N-(HYDROXYMETHYL)ACETAMIDE | 002832-19-1 | 62,466 | 2-chloro-N-(hydroxymethyl)acetamide | C(C(=O)NCO)Cl | InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7) | TXNSZCSYBXHETP-UHFFFAOYSA-N | C3H6ClNO2 | 123.54 | 123.008706 | -0.4 | 49.3 | 66 | 0 | 2 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
AMMONIUM HEXAFLUOROPHOSPHATE | 016941-11-0 | 9,793,912 | azanium hexafluorophosphate | [NH4+].F[P-](F)(F)(F)(F)F | InChI=1S/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1 | NIZXKAYXSNUDOU-UHFFFAOYSA-O | F6H4NP | 163.003 | 162.998555 | null | 1 | 62 | 0 | 1 | 7 | 0 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-(TRIFLUOROMETHYL)ACRYLIC ACID | 000381-98-6 | 587,694 | 2-(trifluoromethyl)prop-2-enoic acid | C=C(C(=O)O)C(F)(F)F | InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9) | VLSRKCIBHNJFHA-UHFFFAOYSA-N | C4H3F3O2 | 140.06 | 140.008514 | 1.3 | 37.3 | 146 | 0 | 1 | 5 | 1 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYLACETIC ACID | 001070-83-3 | 14,057 | 3,3-dimethylbutanoic acid | CC(C)(C)CC(=O)O | InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8) | MLMQPDHYNJCQAO-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.4 | 37.3 | 89 | 0 | 1 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DAB-AM-4 POLYPROPYLENIMINE TETRAAMINE DENDRIMER, GENERATION 1.0 | 120239-63-6 | 4,453,621 | N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine | C(CCN(CCCN)CCCN)CN(CCCN)CCCN | InChI=1S/C16H40N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-20H2 | LYBWJVKFJAIODE-UHFFFAOYSA-N | C16H40N6 | 316.53 | 316.331445 | -1.3 | 111 | 177 | 0 | 4 | 6 | 17 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
O-PHOSPHO-L-THREONINE | 001114-81-4 | 3,246,323 | (2S,3R)-2-amino-3-phosphonooxybutanoic acid | C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | USRGIUJOYOXOQJ-GBXIJSLDSA-N | C4H10NO6P | 199.1 | 199.024574 | -4.7 | 130 | 212 | 0 | 4 | 7 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DICHLOROMETHYLOCTADECYLSILANE | 005157-75-5 | 78,835 | dichloro-methyl-octadecylsilane | CCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl | InChI=1S/C19H40Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h3-19H2,1-2H3 | GYWBHBXGYTYXRG-UHFFFAOYSA-N | C19H40Cl2Si | 367.5 | 366.227633 | null | 0 | 219 | 0 | 0 | 0 | 17 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-ACRYLOXYPROPYLTRIMETHOXYSILANE | 004369-14-6 | 151,204 | 3-trimethoxysilylpropyl prop-2-enoate | CO[Si](CCCOC(=O)C=C)(OC)OC | InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3 | KBQVDAIIQCXKPI-UHFFFAOYSA-N | C9H18O5Si | 234.32 | 234.09235 | null | 54 | 194 | 0 | 0 | 5 | 9 | 15 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
BROMOCHLOROACETIC ACID | 005589-96-8 | 542,762 | 2-bromo-2-chloroacetic acid | C(C(=O)O)(Cl)Br | InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6) | GEHJBWKLJVFKPS-UHFFFAOYSA-N | C2H2BrClO2 | 173.39 | 171.89267 | 1.3 | 37.3 | 64 | 0 | 1 | 2 | 1 | 6 | 230 °F (110 °C): closed cup | 215 °C at 760 mm Hg; 104 °C at 11 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIOCTYLPHOSPHINE | 004731-53-7 | 20,851 | trioctylphosphane | CCCCCCCCP(CCCCCCCC)CCCCCCCC | InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 | RMZAYIKUYWXQPB-UHFFFAOYSA-N | C24H51P | 370.6 | 370.372839 | 10.2 | 0 | 188 | 0 | 0 | 0 | 21 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NONAMETHYLTRISILAZANE | 001586-73-8 | 74,110 | [[bis(trimethylsilyl)amino]-dimethylsilyl]methane | C[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C | InChI=1S/C9H27NSi3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3 | PEGHITPVRNZWSI-UHFFFAOYSA-N | C9H27NSi3 | 233.57 | 233.14513 | null | 3.2 | 137 | 0 | 0 | 1 | 3 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GALLIUM BROMIDE | 013450-88-9 | 83,477 | tribromogallane | [Ga](Br)(Br)Br | InChI=1S/3BrH.Ga/h3*1H;/q;;;+3/p-3 | SRVXDMYFQIODQI-UHFFFAOYSA-K | Br3Ga | 309.44 | 307.67854 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYL N-(2-AMINOETHYL)CARBAMATE | 057260-73-8 | 187,201 | tert-butyl N-(2-aminoethyl)carbamate | CC(C)(C)OC(=O)NCCN | InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10) | AOCSUUGBCMTKJH-UHFFFAOYSA-N | C7H16N2O2 | 160.21 | 160.121178 | 0 | 64.4 | 129 | 0 | 2 | 3 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYL CHLOROMALONATE | 014064-10-9 | 84,182 | diethyl 2-chloropropanedioate | CCOC(=O)C(C(=O)OCC)Cl | InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 | WLWCQKMQYZFTDR-UHFFFAOYSA-N | C7H11ClO4 | 194.61 | 194.034587 | 1.6 | 52.6 | 151 | 0 | 0 | 4 | 6 | 12 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BROMO-2-METHYLPROPIONIC ACID | 002052-01-9 | 74,924 | 2-bromo-2-methylpropanoic acid | CC(C)(C(=O)O)Br | InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7) | XXSPGBOGLXKMDU-UHFFFAOYSA-N | C4H7BrO2 | 167 | 165.96294 | 1.2 | 37.3 | 87 | 0 | 1 | 2 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYL MESO-2,5-DIBROMOADIPATE | 000869-10-3 | 241,588 | diethyl 2,5-dibromohexanedioate | CCOC(=O)C(CCC(C(=O)OCC)Br)Br | InChI=1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3 | UBCNJHBDCUBIPB-UHFFFAOYSA-N | C10H16Br2O4 | 360.04 | 359.93948 | 3.1 | 52.6 | 209 | 0 | 0 | 4 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
LANTHANUM TRIHYDROXIDE | 014507-19-8 | 135,111 | lanthanum(3+) trihydroxide | [OH-].[OH-].[OH-].[La+3] | InChI=1S/La.3H2O/h;3*1H2/q+3;;;/p-3 | YXEUGTSPQFTXTR-UHFFFAOYSA-K | H3LaO3 | 189.928 | 189.914582 | null | 3 | 0 | 0 | 3 | 3 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(TRIETHOXYSILYLPROPYL)AMINE | 013497-18-2 | 83,535 | 3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine | CCO[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC | InChI=1S/C18H43NO6Si2/c1-7-20-26(21-8-2,22-9-3)17-13-15-19-16-14-18-27(23-10-4,24-11-5)25-12-6/h19H,7-18H2,1-6H3 | RWLDCNACDPTRMY-UHFFFAOYSA-N | C18H43NO6Si2 | 425.7 | 425.262891 | null | 67.4 | 275 | 0 | 1 | 7 | 20 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIGLYCOLYL CHLORIDE | 021062-20-4 | 88,769 | 2-(2-chloro-2-oxoethoxy)acetyl chloride | C(C(=O)Cl)OCC(=O)Cl | InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2 | GTZXSBQCNBNWPK-UHFFFAOYSA-N | C4H4Cl2O3 | 170.98 | 169.953749 | 1.2 | 43.4 | 109 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BOC-BETA-ALANINE | 003303-84-2 | 76,809 | 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CC(C)(C)OC(=O)NCCC(=O)O | InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11) | WCFJUSRQHZPVKY-UHFFFAOYSA-N | C8H15NO4 | 189.21 | 189.100108 | 0.4 | 75.6 | 195 | 0 | 2 | 4 | 5 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-AMINO-10-UNDECENE | 062595-52-2 | 11,768,976 | undec-10-en-1-amine | C=CCCCCCCCCCN | InChI=1S/C11H23N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-12H2 | PYGHKJQHDXSHES-UHFFFAOYSA-N | C11H23N | 169.31 | 169.18305 | 3.8 | 26 | 89 | 0 | 1 | 1 | 9 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-METHYLPENTANOIC ACID | 000097-61-0 | 7,341 | 2-methylpentanoic acid | CCCC(C)C(=O)O | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) | OVBFMEVBMNZIBR-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.8 | 37.3 | 78 | 0 | 1 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
4-BROMOBUTANOYL CHLORIDE | 000927-58-2 | 70,225 | 4-bromobutanoyl chloride | C(CC(=O)Cl)CBr | InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2 | LRTRXDSAJLSRTG-UHFFFAOYSA-N | C4H6BrClO | 185.45 | 183.92906 | 1.8 | 17.1 | 64 | 0 | 0 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
RUTHENIUM BROMIDE (RUBR3) | 014014-88-1 | 176,290 | tribromoruthenium | Br[Ru](Br)Br | InChI=1S/3BrH.Ru/h3*1H;/q;;;+3/p-3 | WYRXRHOISWEUST-UHFFFAOYSA-K | Br3Ru | 340.8 | 340.6573 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NEODECANOIC ACID, TIN(2+) SALT | 049556-16-3 | 170,790 | bis(7,7-dimethyloctanoate);tin(2+) | CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Sn+2] | InChI=1S/2C10H20O2.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2 | SROUPOMLWHGKPN-UHFFFAOYSA-L | C20H38O4Sn | 461.2 | 462.179212 | null | 80.3 | 128 | 0 | 0 | 4 | 10 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
1,1,4,7,10,10-HEXAMETHYLTRIETHYLENETETRAMINE | 003083-10-1 | 76,509 | N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine | CN(C)CCN(C)CCN(C)CCN(C)C | InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3 | DWFKOMDBEKIATP-UHFFFAOYSA-N | C12H30N4 | 230.39 | 230.247047 | 0.4 | 13 | 141 | 0 | 0 | 4 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(+)-2-AMINOPROPAN-1-OL | 002749-11-3 | 80,307 | (2S)-2-aminopropan-1-ol | C[C@@H](CO)N | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1 | BKMMTJMQCTUHRP-VKHMYHEASA-N | C3H9NO | 75.11 | 75.068414 | -1 | 46.3 | 22 | 0 | 2 | 2 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLMETHYLAMMONIUM HYDROXIDE | 109334-81-8 | 14,647,552 | triethyl(methyl)azanium hydroxide | CC[N+](C)(CC)CC.[OH-] | InChI=1S/C7H18N.H2O/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H2/q+1;/p-1 | JAJRRCSBKZOLPA-UHFFFAOYSA-M | C7H19NO | 133.23 | 133.146664 | null | 1 | 47 | 0 | 1 | 1 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYL FLUOROMALONATE | 000685-88-1 | 12,702 | diethyl 2-fluoropropanedioate | CCOC(=O)C(C(=O)OCC)F | InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 | GOWQBFVDZPZZFA-UHFFFAOYSA-N | C7H11FO4 | 178.16 | 178.064137 | 0.9 | 52.6 | 151 | 0 | 0 | 5 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2,2,2-TRIFLUORO-N-(TRIFLUOROACETYL)ACETAMIDE | 000407-24-9 | 67,885 | 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide | C(=O)(C(F)(F)F)NC(=O)C(F)(F)F | InChI=1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13) | GMQVFHZSXKJCIV-UHFFFAOYSA-N | C4HF6NO2 | 209.05 | 208.991147 | 1.6 | 46.2 | 204 | 0 | 1 | 8 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM VINYLTRIFLUOROBORATE | 013682-77-4 | 23,679,353 | potassium ethenyl(trifluoro)boranuide | [B-](C=C)(F)(F)F.[K+] | InChI=1S/C2H3BF3.K/c1-2-3(4,5)6;/h2H,1H2;/q-1;+1 | ZCUMGICZWDOJEM-UHFFFAOYSA-N | C2H3BF3K | 133.95 | 133.991696 | null | 0 | 58 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRABUTYLAMMONIUM HYDROXIDE 30-HYDRATE | 147741-30-8 | 16,218,633 | tetrabutylazanium;hydroxide;triacontahydrate | CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-] | InChI=1S/C16H36N.31H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-16H2,1-4H3;31*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-1 | DFGIRVKFXSRUOX-UHFFFAOYSA-M | C16H97NO31 | 799.9 | 799.604455 | null | 31 | 116 | 0 | 31 | 31 | 12 | 48 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFUR TRIOXIDE - TRIETHYLAMINE COMPLEX | 000761-01-3 | 222,301 | N,N-diethylethanamine;sulfur trioxide | CCN(CC)CC.O=S(=O)=O | InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3; | YYHPEVZFVMVUNJ-UHFFFAOYSA-N | C6H15NO3S | 181.26 | 181.077265 | null | 55.5 | 87 | 0 | 0 | 4 | 3 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1H,1H,2H,2H-PERFLUORODECYLAMINE | 030670-30-5 | 2,783,341 | 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine | C(CN)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 | InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2 | PFINVJYJNJHTFY-UHFFFAOYSA-N | C10H6F17N | 463.13 | 463.022878 | 5.5 | 26 | 559 | 0 | 1 | 18 | 8 | 28 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-OCTYLDODECAN-1-AMINE | 062281-06-5 | 18,761,999 | 2-octyldodecan-1-amine | CCCCCCCCCCC(CCCCCCCC)CN | InChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3 | VDNQHHBRKZQBPY-UHFFFAOYSA-N | C20H43N | 297.6 | 297.33955 | 8.9 | 26 | 179 | 0 | 1 | 1 | 17 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-(2-(2-METHOXYETHOXY)ETHOXY)ETHYLAMINE | 074654-07-2 | 3,018,531 | 2-[2-(2-methoxyethoxy)ethoxy]ethanamine | COCCOCCOCCN | InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3 | OKUWOEKJQRUMBW-UHFFFAOYSA-N | C7H17NO3 | 163.21 | 163.120843 | -1.3 | 53.7 | 70 | 0 | 1 | 4 | 8 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
7-OCTEN-1-OL | 013175-44-5 | 83,203 | oct-7-en-1-ol | C=CCCCCCCO | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h2,9H,1,3-8H2 | WXPWPYISTQCNDP-UHFFFAOYSA-N | C8H16O | 128.21 | 128.120115 | 2.4 | 20.2 | 59 | 0 | 1 | 1 | 6 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MANGANESE(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE | 207861-55-0 | 131,675,784 | bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+) | C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Mn+2] | InChI=1S/2C2F6NO4S2.Mn/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2 | NNWDGVNRIAAYMY-UHFFFAOYSA-N | C4F12MnN2O8S4 | 615.2 | 614.772631 | null | 172 | 374 | 0 | 0 | 22 | 4 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM HEXAFLUOROTITANATE(IV) | 017116-13-1 | 3,084,268 | disodium;tetrafluorotitanium;difluoride | [F-].[F-].F[Ti](F)(F)F.[Na+].[Na+] | InChI=1S/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | HLJCWGPUCQTHFY-UHFFFAOYSA-H | F6Na2Ti | 207.837 | 207.917898 | null | 0 | 19 | 0 | 0 | 6 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYL METHYL(2-(METHYLAMINO)ETHYL)CARBAMATE | 112257-19-9 | 14,403,871 | tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate | CC(C)(C)OC(=O)N(C)CCNC | InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3 | DFVRUHANEXOZGT-UHFFFAOYSA-N | C9H20N2O2 | 188.27 | 188.152478 | 0.7 | 41.6 | 163 | 0 | 1 | 3 | 5 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRAKIS(ACETONITRILE)COPPER(I) TETRAFLUOROBORATE | 015418-29-8 | 10,990,673 | tetrakis(acetonitrile);copper(1+);tetrafluoroborate | [B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+] | InChI=1S/4C2H3N.BF4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;;/q;;;;-1;+1 | YZGSKMIIVMCEFE-UHFFFAOYSA-N | C8H12BCuF4N4 | 314.56 | 314.038711 | null | 95.2 | 48 | 0 | 0 | 9 | 0 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-[2-(3-AMINOPROPOXY)ETHOXY]ETHANOL | 000112-33-4 | 66,985 | 2-[2-(3-aminopropoxy)ethoxy]ethanol | C(CN)COCCOCCO | InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2 | DCZMLYRQHBZWLZ-UHFFFAOYSA-N | C7H17NO3 | 163.21 | 163.120843 | -1.3 | 64.7 | 70 | 0 | 2 | 4 | 8 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETYL FLUORIDE, DIFLUORO(FLUOROSULFONYL)- | 000677-67-8 | 69,614 | 2,2-difluoro-2-fluorosulfonylacetyl fluoride | C(=O)(C(F)(F)S(=O)(=O)F)F | InChI=1S/C2F4O3S/c3-1(7)2(4,5)10(6,8)9 | YIHXQSQQJBEAKK-UHFFFAOYSA-N | C2F4O3S | 180.08 | 179.950428 | 0.9 | 59.6 | 236 | 0 | 0 | 7 | 2 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTANOIC ACID, POTASSIUM SALT | 000764-71-6 | 23,668,522 | potassium octanoate | CCCCCCCC(=O)[O-].[K+] | InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1 | RLEFZEWKMQQZOA-UHFFFAOYSA-M | C8H15KO2 | 182.3 | 182.070911 | null | 40.1 | 94 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CARBONOCHLORIDIC ACID, 1,4-BUTANEDIYL ESTER | 002157-16-6 | 75,085 | 4-carbonochloridoyloxybutyl carbonochloridate | C(CCOC(=O)Cl)COC(=O)Cl | InChI=1S/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2 | AUKORMQZRYQYGI-UHFFFAOYSA-N | C6H8Cl2O4 | 215.03 | 213.979964 | 2.8 | 52.6 | 142 | 0 | 0 | 4 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, DIPENTYL ESTER | 003138-42-9 | 76,589 | dipentyl hydrogen phosphate | CCCCCOP(=O)(O)OCCCCC | InChI=1S/C10H23O4P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H,11,12) | WJZUIWBZDGBLKK-UHFFFAOYSA-N | C10H23O4P | 238.26 | 238.133396 | 2.6 | 55.8 | 168 | 0 | 1 | 4 | 10 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,5-DICHLORO-1,1,3,3,5,5-HEXAMETHYLTRISILOXANE | 003582-71-6 | 77,131 | bis[[chloro(dimethyl)silyl]oxy]-dimethylsilane | C[Si](C)(O[Si](C)(C)Cl)O[Si](C)(C)Cl | InChI=1S/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3 | GJIYNWRLGOMDEX-UHFFFAOYSA-N | C6H18Cl2O2Si3 | 277.36 | 275.999165 | null | 18.5 | 167 | 0 | 0 | 2 | 4 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, CHLOROTRIHEXYL- | 003634-67-1 | 77,188 | chloro(trihexyl)silane | CCCCCC[Si](CCCCCC)(CCCCCC)Cl | InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3 | WZQSBCHNVPAYOC-UHFFFAOYSA-N | C18H39ClSi | 319 | 318.250956 | null | 0 | 163 | 0 | 0 | 0 | 15 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,3,3,3-HEXAFLUORO-2-[1,1,2,2-T | 004089-58-1 | 107,223 | 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl fluoride | C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F)F | InChI=1S/C8F16O5S/c9-1(25)2(10,4(12,13)14)28-6(18,19)3(11,5(15,16)17)29-7(20,21)8(22,23)30(24,26)27 | KKFBQYPRBYZJNU-UHFFFAOYSA-N | C8F16O5S | 512.12 | 511.921095 | 5.1 | 78.1 | 764 | 0 | 0 | 21 | 8 | 30 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHINE, TRIDODECYL- | 006411-24-1 | 80,863 | tridodecylphosphane | CCCCCCCCCCCCP(CCCCCCCCCCCC)CCCCCCCCCCCC | InChI=1S/C36H75P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3 | GRAKJTASWCEOQI-UHFFFAOYSA-N | C36H75P | 539 | 538.560639 | 16.7 | 0 | 322 | 0 | 0 | 0 | 33 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, 2,3-DICHLORO-, ETHYL ESTER | 006628-21-3 | 97,946 | ethyl 2,3-dichloropropanoate | CCOC(=O)C(CCl)Cl | InChI=1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3 | RNZPQAZETZXKCQ-UHFFFAOYSA-N | C5H8Cl2O2 | 171.02 | 169.990135 | 1.7 | 26.3 | 95 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANETHIOL, SODIUM SALT | 006898-84-6 | 4,681,725 | sodium propane-1-thiolate | CCC[S-].[Na+] | InChI=1S/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1 | XVSFHIIADLZQJP-UHFFFAOYSA-M | C3H7NaS | 98.14 | 98.016616 | null | 1 | 10 | 0 | 0 | 1 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DISULFURIC ACID | 007783-05-3 | 62,682 | sulfo hydrogen sulfate | OS(=O)(=O)OS(=O)(=O)O | InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6) | VFNGKCDDZUSWLR-UHFFFAOYSA-N | H2O7S2 | 178.15 | 177.924195 | -1.8 | 135 | 221 | 0 | 2 | 7 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-OCTANESULFONYL CHLORIDE | 007795-95-1 | 82,261 | octane-1-sulfonyl chloride | CCCCCCCCS(=O)(=O)Cl | InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3 | WIVNTNLDTMNDNO-UHFFFAOYSA-N | C8H17ClO2S | 212.74 | 212.063779 | 3.8 | 42.5 | 182 | 0 | 0 | 2 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GOLD BROMIDE (AUBR3) | 010294-28-7 | 82,525 | tribromogold | Br[Au](Br)Br | InChI=1S/Au.3BrH/h;3*1H/q+3;;;/p-3 | OVWPJGBVJCTEBJ-UHFFFAOYSA-K | AuBr3 | 436.68 | 435.71953 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, CHLORO(3-CHLOROPROPYL)DIMETHYL- | 010605-40-0 | 82,765 | chloro-(3-chloropropyl)-dimethylsilane | C[Si](C)(CCCCl)Cl | InChI=1S/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3 | BJLJNLUARMMMLW-UHFFFAOYSA-N | C5H12Cl2Si | 171.14 | 170.008532 | null | 0 | 63 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
STANNATE (SN(OH)62-), DISODIUM, (OC-6-11)- | 012027-70-2 | 165,991 | disodium;tin(4+);hexahydroxide | [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Sn+4] | InChI=1S/2Na.6H2O.Sn/h;;6*1H2;/q2*+1;;;;;;;+4/p-6 | PMPBLIIMRRPPEO-UHFFFAOYSA-H | H6Na2O6Sn | 266.73 | 267.898179 | null | 6 | 0 | 0 | 6 | 6 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZINCATE (ZN(OH)42-), DISODIUM, (T-4)- | 012179-14-5 | 166,652 | disodium;zinc;tetrahydroxide | [OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Zn+2] | InChI=1S/2Na.4H2O.Zn/h;;4*1H2;/q2*+1;;;;;+2/p-4 | HVTHJRMZXBWFNE-UHFFFAOYSA-J | H4Na2O4Zn | 179.4 | 177.919639 | null | 4 | 0 | 0 | 4 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
STANNANE, DIBUTYLBIS[(1-OXO-9-OCTADECENYL)OXY]-, (Z,Z)- | 013323-62-1 | 16,683,995 | [dibutyl-[(E)-octadec-9-enoyl]oxystannyl] (Z)-octadec-9-enoate | CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC | InChI=1S/2C18H34O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b10-9+;10-9-;;; | AWFFJJAOMMAGFE-JNAMAPRJSA-L | C44H84O4Sn | 795.8 | 796.539164 | null | 52.6 | 713 | 0 | 0 | 4 | 40 | 49 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 1 |
SODIUM DEUTEROXIDE | 014014-06-3 | 23,676,750 | null | [2H][O-].[Na+] | InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD | HEMHJVSKTPXQMS-DYCDLGHISA-M | HNaO | 41.003 | 40.998786 | null | 1 | 2 | 0 | 1 | 1 | 0 | 2 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
UNDECANOYL CHLORIDE | 017746-05-3 | 87,287 | undecanoyl chloride | CCCCCCCCCCC(=O)Cl | InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3 | JUKPJGZUFHCZQI-UHFFFAOYSA-N | C11H21ClO | 204.73 | 204.128093 | 4.6 | 17.1 | 123 | 0 | 0 | 1 | 9 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTANOIC ACID, COMPD. WITH 2-AMINOETHANOL (1:1) | 028098-03-5 | 160,158 | 2-aminoethanol;octanoic acid | CCCCCCCC(=O)O.C(CO)N | InChI=1S/C8H16O2.C2H7NO/c1-2-3-4-5-6-7-8(9)10;3-1-2-4/h2-7H2,1H3,(H,9,10);4H,1-3H2 | ZGIPIEWHOQEVJN-UHFFFAOYSA-N | C10H23NO3 | 205.29 | 205.167794 | null | 83.6 | 99 | 0 | 3 | 4 | 7 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, OCTADECYL ESTER | 039471-52-8 | 170,212 | octadecan-1-ol;phosphoric acid | CCCCCCCCCCCCCCCCCCO.OP(=O)(O)O | InChI=1S/C18H38O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h19H,2-18H2,1H3;(H3,1,2,3,4) | HMLIQCQTRZELBY-UHFFFAOYSA-N | C18H41O5P | 368.5 | 368.269161 | null | 98 | 194 | 0 | 4 | 5 | 16 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, ISODECYL ESTER | 056572-86-2 | 92,456 | 8-methylnonan-1-ol;phosphoric acid | CC(C)CCCCCCCO.OP(=O)(O)O | InChI=1S/C10H22O.H3O4P/c1-10(2)8-6-4-3-5-7-9-11;1-5(2,3)4/h10-11H,3-9H2,1-2H3;(H3,1,2,3,4) | MSGDIFCKFFCXML-UHFFFAOYSA-N | C10H25O5P | 256.28 | 256.143961 | null | 98 | 119 | 0 | 4 | 5 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-DECANESULFONYL CHLORIDE | 061652-81-1 | 109,107 | decane-1-sulfonyl chloride | CCCCCCCCCCS(=O)(=O)Cl | InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3 | WCKKWABZCCKDTN-UHFFFAOYSA-N | C10H21ClO2S | 240.79 | 240.095079 | 4.9 | 42.5 | 207 | 0 | 0 | 2 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(1,1-DIMETHYLETHOXY)ETHENYLSILANOL ACETATE | 064426-39-7 | 116,618 | [ethenyl-bis[(2-methylpropan-2-yl)oxy]silyl] acetate | CC(=O)O[Si](C=C)(OC(C)(C)C)OC(C)(C)C | InChI=1S/C12H24O4Si/c1-9-17(14-10(2)13,15-11(3,4)5)16-12(6,7)8/h9H,1H2,2-8H3 | ZKWBDADTTKTUJM-UHFFFAOYSA-N | C12H24O4Si | 260.4 | 260.144386 | null | 44.8 | 270 | 0 | 0 | 4 | 7 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANETHIOIC ACID, S-(3-CHLORO-2-METHYL-3-OXOPROPYL) ESTER | 064805-64-7 | 103,458 | S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate | CC(CSC(=O)C)C(=O)Cl | InChI=1S/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3 | LUDPWTHDXSOXDX-UHFFFAOYSA-N | C6H9ClO2S | 180.65 | 180.001178 | 1.7 | 59.4 | 147 | 0 | 0 | 3 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-TRIDECYL-.OMEGA.-HYDROXY-, ISOOCTYL PHOSPHAT | 068186-41-4 | 23,674,316 | potassium;dihydrogen phosphate;6-methylheptan-1-ol;2-tridecoxyethanol | CCCCCCCCCCCCCOCCO.CC(C)CCCCCO.OP(=O)(O)[O-].[K+] | InChI=1S/C15H32O2.C8H18O.K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h16H,2-15H2,1H3;8-9H,3-7H2,1-2H3;;(H3,1,2,3,4)/q;;+1;/p-1 | SMWZDAQANLWHQJ-UHFFFAOYSA-M | C23H52KO7P | 510.7 | 510.308773 | null | 130 | 239 | 0 | 4 | 7 | 19 | 32 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANOL, 2-(2-ETHOXYETHOXY)-, PHOSPHATE | 068550-94-7 | 20,026,930 | 2-(2-ethoxyethoxy)ethyl phosphate | CCOCCOCCOP(=O)([O-])[O-] | InChI=1S/C6H15O6P/c1-2-10-3-4-11-5-6-12-13(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2 | PMUXALPBFHRUMP-UHFFFAOYSA-L | C6H13O6P-2 | 212.14 | 212.044975 | -1.6 | 90.9 | 144 | -2 | 0 | 6 | 7 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NDSB-195 | 160255-06-1 | 5,221,296 | 3-[ethyl(dimethyl)azaniumyl]propane-1-sulfonate | CC[N+](C)(C)CCCS(=O)(=O)[O-] | InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3 | NNCRHRDBFDCWPA-UHFFFAOYSA-N | C7H17NO3S | 195.28 | 195.092915 | -0.2 | 65.6 | 202 | 0 | 0 | 3 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GLYOXYLIC ACID MONOHYDRATE | 000563-96-2 | 15,620,607 | oxaldehydic acid;hydrate | C(=O)C(=O)O.O | InChI=1S/C2H2O3.H2O/c3-1-2(4)5;/h1H,(H,4,5);1H2 | MOOYVEVEDVVKGD-UHFFFAOYSA-N | C2H4O4 | 92.05 | 92.010959 | null | 55.4 | 55 | 0 | 2 | 4 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
NONANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]- | 026392-63-2 | 105,542 | N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]nonanamide | CCCCCCCCC(=O)NCCNCCNCCNCCN | InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23) | VKWZDXGYNMWHQU-UHFFFAOYSA-N | C17H39N5O | 329.5 | 329.315461 | 0.8 | 91.2 | 251 | 0 | 5 | 5 | 18 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HYDROCHLORIC ACID SOLUTIONS (>/= 0.1%) | 007647-01-0 | 313 | chlorane | Cl | InChI=1S/ClH/h1H | VEXZGXHMUGYJMC-UHFFFAOYSA-N | ClH | 36.46 | 35.976678 | 0.8 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | null | 123 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTANOIC ACID | 000124-07-2 | 379 | octanoic acid | CCCCCCCC(=O)O | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | WWZKQHOCKIZLMA-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 3 | 37.3 | 89 | 0 | 1 | 2 | 6 | 10 | 230 °F (NTP, 1992) | 463.5 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIBUTYL PHOSPHATE | 000107-66-4 | 7,881 | dibutyl hydrogen phosphate | CCCCOP(=O)(O)OCCCC | InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10) | JYFHYPJRHGVZDY-UHFFFAOYSA-N | C8H19O4P | 210.21 | 210.102096 | 1.5 | 55.8 | 146 | 0 | 1 | 4 | 8 | 13 | 370 °F (ICSC, 2024) | 212 °F at 760 mmHg (Decomposes) (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALUMINUM CHLORIDE, HEXAHYDRATE | 007784-13-6 | 24,564 | trichloroalumane;hexahydrate | O.O.O.O.O.O.[Al](Cl)(Cl)Cl | InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3 | JGDITNMASUZKPW-UHFFFAOYSA-K | AlCl3H12O6 | 241.43 | 239.951485 | null | 6 | 8 | 0 | 6 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
LACTIC ACID | 000050-21-5 | 612 | 2-hydroxypropanoic acid | CC(C(=O)O)O | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) | JVTAAEKCZFNVCJ-UHFFFAOYSA-N | C3H6O3 | 90.08 | 90.031694 | -0.7 | 57.5 | 59 | 0 | 2 | 3 | 1 | 6 | 113 °C (235 °F) - closed cup | 122 °C at 15 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
L(+)-LACTIC ACID | 000079-33-4 | 107,689 | (2S)-2-hydroxypropanoic acid | C[C@@H](C(=O)O)O | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 | JVTAAEKCZFNVCJ-REOHCLBHSA-N | C3H6O3 | 90.08 | 90.031694 | -0.7 | 57.5 | 59 | 0 | 2 | 3 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER, DISODIUM SALT | 015505-13-2 | 85,860 | disodium;2-ethylhexyl phosphate | CCCCC(CC)COP(=O)([O-])[O-].[Na+].[Na+] | InChI=1S/C8H19O4P.2Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2 | NIFGJMWDJOVFPC-UHFFFAOYSA-L | C8H17Na2O4P | 254.17 | 254.065985 | null | 72.4 | 154 | 0 | 0 | 4 | 6 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEPTAFLUOROBUTYRIC ACID | 000375-22-4 | 9,777 | 2,2,3,3,4,4,4-heptafluorobutanoic acid | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O | InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) | YPJUNDFVDDCYIH-UHFFFAOYSA-N | C4HF7O2 | 214.04 | 213.986476 | 2.2 | 37.3 | 217 | 0 | 1 | 9 | 2 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
UNDECAFLUOROHEXANOIC ACID | 000307-24-4 | 67,542 | 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid | C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O | InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19) | PXUULQAPEKKVAH-UHFFFAOYSA-N | C6HF11O2 | 314.05 | 313.980089 | 3.6 | 37.3 | 368 | 0 | 1 | 13 | 4 | 19 | null | 157 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXACHLOROPROPENE | 001888-71-7 | 15,902 | 1,1,2,3,3,3-hexachloroprop-1-ene | C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl | InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9 | VFDYKPARTDCDCU-UHFFFAOYSA-N | C3Cl6 | 248.7 | 247.810166 | 4.2 | 0 | 126 | 0 | 0 | 0 | 0 | 9 | null | 209.5 °C | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(N,N-DIETHYL-3-AMINOPROPYL)TRIMETHOXYSILANE | 041051-80-3 | 170,458 | N,N-diethyl-3-trimethoxysilylpropan-1-amine | CCN(CC)CCC[Si](OC)(OC)OC | InChI=1S/C10H25NO3Si/c1-6-11(7-2)9-8-10-15(12-3,13-4)14-5/h6-10H2,1-5H3 | ZLDHYRXZZNDOKU-UHFFFAOYSA-N | C10H25NO3Si | 235.4 | 235.16037 | null | 30.9 | 141 | 0 | 0 | 4 | 9 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
D-MALIC ACID | 000636-61-3 | 92,824 | (2R)-2-hydroxybutanedioic acid | C([C@H](C(=O)O)O)C(=O)O | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 | BJEPYKJPYRNKOW-UWTATZPHSA-N | C4H6O5 | 134.09 | 134.021523 | -1.3 | 94.8 | 129 | 0 | 3 | 5 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
AMINOGUANIDINE HYDROCHLORIDE | 001937-19-5 | 2,734,687 | 2-aminoguanidine;hydrochloride | C(=NN)(N)N.Cl | InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H | UBDZFAGVPPMTIT-UHFFFAOYSA-N | CH7ClN4 | 110.55 | 110.035924 | null | 90.4 | 41 | 0 | 4 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 |
CESIUM TRIIODIDE | 012297-72-2 | 23,717,889 | cesium triiodide | I[I-]I.[Cs+] | InChI=1S/Cs.I3/c;1-3-2/q+1;-1 | PSDVEXXHXQVSQT-UHFFFAOYSA-N | CsI3 | 513.6189 | 513.6189 | null | 0 | 3 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
PHOSPHORIC ACID OLEYL ESTER | 037310-83-1 | 6,435,865 | (Z)-octadec-9-en-1-ol;phosphoric acid | CCCCCCCC/C=C\CCCCCCCCO.OP(=O)(O)O | InChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9-; | JGVOASSDYQIBIF-KVVVOXFISA-N | C18H39O5P | 366.5 | 366.253511 | null | 98 | 224 | 0 | 4 | 5 | 15 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CALCIUM ALUMINUM OXIDE | 012042-68-1 | 159,415 | calcium oxido(oxo)alumane | [O-][Al]=O.[O-][Al]=O.[Ca+2] | InChI=1S/2Al.Ca.4O/q;;+2;;;2*-1 | XFWJKVMFIVXPKK-UHFFFAOYSA-N | Al2CaO4 | 158.04 | 157.905326 | null | 80.3 | 7 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-ETHOXYETHYL METHACRYLATE | 002370-63-0 | 71,404 | 2-ethoxyethyl 2-methylprop-2-enoate | CCOCCOC(=O)C(=C)C | InChI=1S/C8H14O3/c1-4-10-5-6-11-8(9)7(2)3/h2,4-6H2,1,3H3 | SFPNZPQIIAJXGL-UHFFFAOYSA-N | C8H14O3 | 158.19 | 158.094294 | 1.4 | 35.5 | 140 | 0 | 0 | 3 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
L-2,4-DIAMINOBUTYRIC ACID DIHYDROCHLORIDE | 001883-09-6 | 2,724,265 | (2S)-2,4-diaminobutanoic acid;dihydrochloride | C(CN)[C@@H](C(=O)O)N.Cl.Cl | InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1 | CKAAWCHIBBNLOJ-QTNFYWBSSA-N | C4H12Cl2N2O2 | 191.05 | 190.027583 | null | 89.3 | 84 | 0 | 5 | 4 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DI-TERT-BUTYL HYDROGEN PHOSPHATE, POTASSIUM SALT | 033494-80-3 | 24,197,410 | null | CC(C)(C)OP(=O)(O)OC(C)(C)C.[K] | InChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10); | SZCKQRFZBSIRLK-UHFFFAOYSA-N | C8H19KO4P | 249.31 | 249.065803 | null | 55.8 | 191 | 0 | 1 | 4 | 4 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,6,9-TRIOXAUNDECAMETHYLENEDIAMINE | 000929-75-9 | 70,250 | 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine | C(COCCOCCOCCN)N | InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2 | NIQFAJBKEHPUAM-UHFFFAOYSA-N | C8H20N2O3 | 192.26 | 192.147393 | -2.1 | 79.7 | 83 | 0 | 2 | 5 | 10 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYL (2-(2-(2-(2-AMINOETHOXY)ETHOXY)
ETHOXY)ETHYL)CARBAMATE | 101187-40-0 | 10,493,865 | tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate | CC(C)(C)OC(=O)NCCOCCOCCOCCN | InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16) | CUPBLDPRUBNAIE-UHFFFAOYSA-N | C13H28N2O5 | 292.37 | 292.199822 | -0.5 | 92 | 243 | 0 | 2 | 6 | 13 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
9-OCTADECENAMIDE, N-(2-HYDROXYETHYL)-, (Z)- | 000111-58-0 | 5,283,454 | (Z)-N-(2-hydroxyethyl)octadec-9-enamide | CCCCCCCC/C=C\CCCCCCCC(=O)NCCO | InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- | BOWVQLFMWHZBEF-KTKRTIGZSA-N | C20H39NO2 | 325.5 | 325.29808 | 6.3 | 49.3 | 277 | 0 | 2 | 2 | 17 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BUTENOIC ACID, ANHYDRIDE | 000623-68-7 | 12,189 | but-2-enoyl but-2-enoate | CC=CC(=O)OC(=O)C=CC | InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3 | VJDDQSBNUHLBTD-UHFFFAOYSA-N | C8H10O3 | 154.16 | 154.062994 | 1.5 | 43.4 | 179 | 0 | 0 | 3 | 4 | 11 | null | 246-248 °C @ 766 MM HG | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHANOL, 2-[2-[2-[(2-ETHYLHEXYL)OXY]ETHOXY]ETHOXY]- | 001559-37-1 | 102,646 | 2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol | CCCCC(CC)COCCOCCOCCO | InChI=1S/C14H30O4/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15/h14-15H,3-13H2,1-2H3 | GSKKPNMVOYDARW-UHFFFAOYSA-N | C14H30O4 | 262.39 | 262.214409 | 2.2 | 47.9 | 153 | 0 | 1 | 4 | 14 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
STANNANE, TRICHLOROOCTYL- | 003091-25-6 | 76,538 | trichloro(octyl)stannane | CCCCCCCC[Sn](Cl)(Cl)Cl | InChI=1S/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3 | INTLMJZQCBRQAT-UHFFFAOYSA-K | C8H17Cl3Sn | 338.3 | 337.941786 | null | 0 | 101 | 0 | 0 | 0 | 6 | 12 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 |
GLYCINE, N-METHYL-N-(1-OXO-9-OCTADECENYL)-, SODIUM SALT | 003624-77-9 | 23,675,452 | sodium 2-[methyl-[(E)-octadec-9-enoyl]amino]acetate | CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)[O-].[Na+] | InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1/b11-10+; | VLKIFCBXANYYCK-ASTDGNLGSA-M | C21H38NNaO3 | 375.5 | 375.274938 | null | 60.4 | 372 | 0 | 0 | 3 | 17 | 26 | null | null | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.