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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TIN PHOSPHIDE (SNP) | 025324-56-5 | 44,144,463 | phosphanylidynetin | P#[Sn] | InChI=1S/P.Sn | BSPSZRDIBCCYNN-UHFFFAOYSA-N | PSn | 149.68 | 150.875965 | null | 0 | 10 | 0 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-HEXANAMINE, 2-ETHYL-, HYDROCHLORIDE | 026392-49-4 | 117,308 | 2-ethylhexan-1-amine;hydrochloride | CCCCC(CC)CN.Cl | InChI=1S/C8H19N.ClH/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H | JNWRGTDFPPYRAD-UHFFFAOYSA-N | C8H20ClN | 165.7 | 165.128427 | null | 26 | 52 | 0 | 2 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NEODECANOIC ACID, ZINC SALT | 027253-29-8 | 117,959 | zinc bis(3,3,5,5-tetramethylhexanoate) | CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Zn+2] | InChI=1S/2C10H20O2.Zn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2 | JUODUXKPGONLIM-UHFFFAOYSA-L | C20H38O4Zn | 407.9 | 406.206151 | null | 80.3 | 158 | 0 | 0 | 4 | 6 | 25 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
9-OCTADECENOIC ACID (Z)-, COMPD. WITH (Z)-9-OCTADECEN-1-AMINE (1:1) | 028065-97-6 | 6,438,187 | (Z)-octadec-9-en-1-amine;(Z)-octadec-9-enoic acid | CCCCCCCC/C=C\CCCCCCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O | InChI=1S/C18H37N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9- | QAIHWMZHLIBAFX-QZOPMXJLSA-N | C36H71NO2 | 550 | 549.548481 | null | 63.3 | 408 | 0 | 2 | 3 | 30 | 39 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NONADECANENITRILE | 028623-46-3 | 98,566 | nonadecanenitrile | CCCCCCCCCCCCCCCCCCC#N | InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3 | MVDGSHXQMOKTDJ-UHFFFAOYSA-N | C19H37N | 279.5 | 279.2926 | 8.5 | 23.8 | 213 | 0 | 0 | 1 | 16 | 20 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-NONENENITRILE | 029127-83-1 | 6,438,193 | (Z)-non-2-enenitrile | CCCCCC/C=C\C#N | InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7- | WOVJAWMZNOWDII-FPLPWBNLSA-N | C9H15N | 137.22 | 137.12045 | 3.4 | 23.8 | 127 | 0 | 0 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-(1-METHYL-2-PROPOXYETHOXY)-2-PROPANOL | 029911-27-1 | 121,752 | 1-(1-propoxypropan-2-yloxy)propan-2-ol | CCCOCC(C)OCC(C)O | InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3 | WEZPLQKRXDBPEP-UHFFFAOYSA-N | C9H20O3 | 176.25 | 176.141245 | 1 | 38.7 | 95 | 0 | 1 | 3 | 7 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-PENTACOSAFLUORO-14-IODOTETRADECANE | 030046-31-2 | 121,613 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane | C(CI)C(C(C(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)(F)F)(F)F)(F)F | InChI=1S/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2 | DBXLDZXWSFMBRB-UHFFFAOYSA-N | C14H4F25I | 774.04 | 773.89585 | 10.2 | 0 | 909 | 0 | 0 | 25 | 12 | 40 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
IMIDODISULFURIC ACID, HYDROXY-, DISODIUM SALT | 031186-36-4 | 169,269 | disodium;N-hydroxy-N-sulfonatosulfamate | N(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] | InChI=1S/H3NO7S2.2Na/c2-1(9(3,4)5)10(6,7)8;;/h2H,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2 | NVFWJWFXBLSNIW-UHFFFAOYSA-L | HNNa2O7S2 | 237.13 | 236.898982 | null | 155 | 223 | 0 | 1 | 8 | 0 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GLYCINE, N-[IMINO(PHOSPHONOAMINO)METHYL]-N-METHYL-, SODIUM SALT | 033166-68-6 | 23,705,736 | sodium 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate | CN(CC(=O)[O-])/C(=N/P(=O)(O)O)/N.[Na+] | InChI=1S/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);/q;+1/p-1 | ZKXLDDHHUCNNBQ-UHFFFAOYSA-M | C4H9N3NaO5P | 233.1 | 233.017752 | null | 139 | 276 | 0 | 3 | 6 | 4 | 14 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Valeric acid, 2-propyl-, calcium salt (2:1) | 033433-82-8 | 86,480 | calcium bis(2-propylpentanoate) | CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2] | InChI=1S/2C8H16O2.Ca/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 | PIZHURYFCSGTJX-UHFFFAOYSA-L | C16H30CaO4 | 326.48 | 326.177 | null | 80.3 | 87 | 0 | 0 | 4 | 8 | 21 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL-AMMONIUM SULFATE (METHYLAMINE, SULFATE (2:1) | 033689-83-7 | 198,133 | methanamine;sulfuric acid | CN.CN.OS(=O)(=O)O | InChI=1S/2CH5N.H2O4S/c2*1-2;1-5(2,3)4/h2*2H2,1H3;(H2,1,2,3,4) | NQNOMXXYKHWVKR-UHFFFAOYSA-N | C2H12N2O4S | 160.2 | 160.051778 | null | 135 | 83 | 0 | 4 | 6 | 0 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-Propanol, 1-amino-3-chloro-, hydrochloride, (+-)- | 034839-12-8 | 147,580 | 1-amino-3-chloropropan-2-ol;hydrochloride | C(C(CCl)O)N.Cl | InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H | ZCPJBHYNOFIAPJ-UHFFFAOYSA-N | C3H9Cl2NO | 146.01 | 145.006119 | null | 46.3 | 34 | 0 | 3 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
THIOSULFURIC ACID (H2S2O3), BARIUM SALT (1:1) | 035112-53-9 | 169,663 | barium(2+);dioxido-oxo-sulfanylidene-lambda6-sulfane | [O-]S(=O)(=S)[O-].[Ba+2] | InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 | ONPIOWQPHWNPOQ-UHFFFAOYSA-L | BaO3S2 | 249.5 | 249.834133 | null | 104 | 82 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BARIUM TUNGSTEN YTTRIUM OXIDE (BA3WY2O9) | 037265-86-4 | 16,212,684 | tris(barium(2+));tungsten;bis(yttrium);hexahydroxide;trihydrate | O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Y].[Y].[Ba+2].[Ba+2].[Ba+2].[W] | InChI=1S/3Ba.9H2O.W.2Y/h;;;9*1H2;;;/q3*+2;;;;;;;;;;;;/p-6 | DPVMVIDZXFVJTO-UHFFFAOYSA-H | Ba3H12O9WY2 | 929.7 | 931.52648 | null | 9 | 12 | 0 | 9 | 9 | 0 | 15 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANEDIOIC ACID, SULFO-, C-ISODECYL ESTER, DISODIUM SALT | 037294-49-8 | 162,257 | disodium;8-methylnonan-1-ol;2-sulfobutanedioic acid | CC(C)CCCCCCCO.C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Na+].[Na+] | InChI=1S/C10H22O.C4H6O7S.2Na/c1-10(2)8-6-4-3-5-7-9-11;5-3(6)1-2(4(7)8)12(9,10)11;;/h10-11H,3-9H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1 | YBNSWAFWAWIDJZ-UHFFFAOYSA-N | C14H28Na2O8S+2 | 402.41 | 402.130028 | null | 158 | 352 | 2 | 4 | 8 | 11 | 25 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETAMIDE, 2,2-DICHLORO-N,N-DI-2-PROPENYL- | 037764-25-3 | 37,829 | 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide | C=CCN(CC=C)C(=O)C(Cl)Cl | InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2 | YRMLFORXOOIJDR-UHFFFAOYSA-N | C8H11Cl2NO | 208.08 | 207.021769 | 2.4 | 20.3 | 170 | 0 | 0 | 1 | 5 | 12 | null | BP: 130 °C at 10 mm Hg | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DODECANOIC ACID, 2-SULFO-, DISODIUM SALT | 038841-48-4 | 23,139,701 | disodium;2-sulfonatododecanoate | CCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] | InChI=1S/C12H24O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11(12(13)14)18(15,16)17;;/h11H,2-10H2,1H3,(H,13,14)(H,15,16,17);;/q;2*+1/p-2 | KKGXXVNMUUFEDZ-UHFFFAOYSA-L | C12H22Na2O5S | 324.35 | 324.098334 | null | 106 | 299 | 0 | 0 | 5 | 9 | 20 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NONANEDIOIC ACID, DILITHIUM SALT | 038900-29-7 | 162,336 | dilithium;nonanedioate | [Li+].[Li+].C(CCCC(=O)[O-])CCCC(=O)[O-] | InChI=1S/C9H16O4.2Li/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2 | KCEQQLDYFGMIGU-UHFFFAOYSA-L | C9H14Li2O4 | 200.1 | 200.121216 | null | 80.3 | 136 | 0 | 0 | 4 | 6 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, HYDROXY-, MONOLITHIUM SALT | 039663-84-8 | 23,688,973 | lithium 2-hydroxyacetate | [Li+].C(C(=O)[O-])O | InChI=1S/C2H4O3.Li/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1 | DSOSKIYNVXMGOA-UHFFFAOYSA-M | C2H3LiO3 | 82 | 82.024222 | null | 60.4 | 44 | 0 | 1 | 3 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC ACID SODIUM SALT | 040372-66-5 | 29,920,088 | (2S)-2-phosphonobutane-1,2,4-tricarboxylic acid | C(C[C@](CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O | InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)/t7-/m0/s1 | SZHQPBJEOCHCKM-ZETCQYMHSA-N | C7H11O9P | 270.13 | 270.014069 | -2.8 | 169 | 383 | 0 | 5 | 9 | 7 | 17 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-OCTANAMINIUM, N,N-DIOCTYL-N-PROPYL-, CHLORIDE | 040739-43-3 | 2,735,155 | trioctyl(propyl)azanium chloride | CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC.[Cl-] | InChI=1S/C27H58N.ClH/c1-5-9-12-15-18-21-25-28(24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h5-27H2,1-4H3;1H/q+1;/p-1 | WFEXFNMTEBFLMM-UHFFFAOYSA-M | C27H58ClN | 432.2 | 431.425779 | null | 0 | 245 | 0 | 0 | 1 | 23 | 29 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFONIUM, BIS[(DIMETHYLAMINO)THIOXOMETHYL](3-SULFOPROPYL)-, INNER SALT | 041515-04-2 | 73,555,797 | 3-[bis(dimethylcarbamothioyl)sulfonio]propane-1-sulfonate | CN(C)C(=S)[S+](CCCS(=O)(=O)[O-])C(=S)N(C)C | InChI=1S/C9H18N2O3S4/c1-10(2)8(15)17(9(16)11(3)4)6-5-7-18(12,13)14/h5-7H2,1-4H3 | VBYZDIRQAGBSRB-UHFFFAOYSA-N | C9H18N2O3S4 | 330.5 | 330.020027 | 0.8 | 137 | 367 | 0 | 0 | 5 | 5 | 18 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
9-OCTADECENOIC ACID (9Z)-1,1'-(1,1,3,3-TETRAMETHYL-1,3-DISTANNOXANEDIYL)ESTER | 043136-18-1 | 16,684,288 | [[dimethyl-[(E)-octadec-9-enoyl]oxystannyl]oxy-dimethylstannyl] (Z)-octadec-9-enoate | CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC/C=C\CCCCCCCC | InChI=1S/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/b10-9+;10-9-;;;;;;; | PSPGDGGOJDGOST-GIQUDXMJSA-L | C40H78O5Sn2 | 876.5 | 876.38873 | null | 61.8 | 729 | 0 | 0 | 5 | 36 | 47 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 3-MERCAPTO-, TRIDECYL ESTER | 050727-77-0 | 116,961 | tridecyl 3-sulfanylpropanoate | CCCCCCCCCCCCCOC(=O)CCS | InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-16(17)13-15-19/h19H,2-15H2,1H3 | MJNLAPRQQJZBQN-UHFFFAOYSA-N | C16H32O2S | 288.5 | 288.212301 | 6.3 | 27.3 | 195 | 0 | 1 | 3 | 15 | 19 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFAMIC ACID, COMPD. WITH GUANIDINE (1:1) | 050979-18-5 | 170,947 | guanidine;sulfamic acid | C(=N)(N)N.NS(=O)(=O)O | InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4) | LNEUSAPFBRDCPM-UHFFFAOYSA-N | CH8N4O3S | 156.17 | 156.031711 | null | 165 | 119 | 0 | 5 | 5 | 0 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
STANNANE, BIS(DODECYLTHIO)DIMETHYL- | 051287-84-4 | 9,576,105 | bis(dodecylsulfanyl)-dimethylstannane | CCCCCCCCCCCCS[Sn](C)(C)SCCCCCCCCCCCC | InChI=1S/2C12H26S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h2*13H,2-12H2,1H3;2*1H3;/q;;;;+2/p-2 | STFIYNYAZIBJNK-UHFFFAOYSA-L | C26H56S2Sn | 551.6 | 552.284547 | null | 50.6 | 279 | 0 | 0 | 2 | 24 | 29 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1-PROPANOL, 2-[(HYDROXYMETHYL)AMINO]-2-METHYL- | 052299-20-4 | 62,014 | 2-(hydroxymethylamino)-2-methylpropan-1-ol | CC(C)(CO)NCO | InChI=1S/C5H13NO2/c1-5(2,3-7)6-4-8/h6-8H,3-4H2,1-2H3 | RGDPCZKNNXHAIU-UHFFFAOYSA-N | C5H13NO2 | 119.16 | 119.094629 | -0.9 | 52.5 | 63 | 0 | 3 | 3 | 3 | 8 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIPHOSPHORIC ACID, MANGANESE(4+) SALT (1:1) | 053731-35-4 | 171,295 | manganese;phosphonato phosphate | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn] | InChI=1S/Mn.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/p-4 | JDEHDSCOURWIMY-UHFFFAOYSA-J | MnO7P2-4 | 228.88 | 228.849969 | null | 136 | 124 | -4 | 0 | 7 | 0 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISONONANOIC ACID, CALCIUM SALT | 053988-05-9 | 23,120,470 | calcium bis(7-methyloctanoate) | CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ca+2] | InChI=1S/2C9H18O2.Ca/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2 | KTYKLJLZEBJWRK-UHFFFAOYSA-L | C18H34CaO4 | 354.5 | 354.2083 | null | 80.3 | 103 | 0 | 0 | 4 | 10 | 23 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIMETHYLOXONIUM (OC-6-11)-HEXACHLOROANTIMONATE(1-) | 054075-76-2 | 150,258 | hexachloroantimony(1-);trimethyloxidanium | C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl | InChI=1S/C3H9O.6ClH.Sb/c1-4(2)3;;;;;;;/h1-3H3;6*1H;/q+1;;;;;;;+5/p-6 | YAHNDGAYGJSBJE-UHFFFAOYSA-H | C3H9Cl6OSb | 395.6 | 393.77932 | null | 1 | 70 | 0 | 0 | 1 | 0 | 11 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANIMIDAMIDE, 2-HYDROXY-, MONOHYDROCHLORIDE | 054198-71-9 | 3,085,057 | 2-hydroxyethanimidamide chloride | C(C(=N)N)O.[Cl-] | InChI=1S/C2H6N2O.ClH/c3-2(4)1-5;/h5H,1H2,(H3,3,4);1H/p-1 | DRWDZFNIPARKSG-UHFFFAOYSA-M | C2H6ClN2O- | 109.53 | 109.016866 | null | 70.1 | 42 | -1 | 3 | 3 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE) | 054849-38-6 | 22,833,337 | 6-methylheptyl 2-[methyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate | CC(C)CCCCCOC(=O)CS[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C | InChI=1S/3C10H20O2S.CH3.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3 | NIXLJQORAUOBAU-UHFFFAOYSA-K | C31H60O6S3Sn | 743.7 | 744.257406 | null | 155 | 602 | 0 | 0 | 9 | 30 | 41 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
CARBAMOTHIOIC ACID, ETHYL-, O-(2-METHYLPROPYL) ESTER | 055860-53-2 | 3,034,831 | O-(2-methylpropyl) N-ethylcarbamothioate | CCNC(=S)OCC(C)C | InChI=1S/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10) | HMZPXZFXOANPHS-UHFFFAOYSA-N | C7H15NOS | 161.27 | 161.087435 | 2.2 | 53.4 | 104 | 0 | 1 | 2 | 4 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt | 057248-88-1 | 73,351 | disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate | C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] | InChI=1S/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2 | CEYUIFJWVHOCPP-UHFFFAOYSA-L | C3H9NNa2O7P2 | 279.03 | 278.964964 | null | 167 | 238 | 0 | 4 | 8 | 4 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENAL, 5-(METHYLTHIO)-2-[(METHYLTHIO)METHYL]- | 059902-01-1 | 20,381,861 | (E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal | CSCC/C=C(/CSC)\C=O | InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+ | VVZWQNGEMWJSTM-XBXARRHUSA-N | C8H14OS2 | 190.3 | 190.048607 | 1.6 | 67.7 | 132 | 0 | 0 | 3 | 6 | 11 | null | 104.00 to 105.00 °C. @ 10.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,1-TRIFLUOROMETHANESULFONIC ACID, COMPD. WITH N-ETHYLETHANAMINE (1:1) | 060933-18-8 | 173,774 | N-ethylethanamine;trifluoromethanesulfonic acid | CCNCC.C(F)(F)(F)S(=O)(=O)O | InChI=1S/C4H11N.CHF3O3S/c1-3-5-4-2;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H,5,6,7) | BGIBIBGZOYSFSC-UHFFFAOYSA-N | C5H12F3NO3S | 223.22 | 223.048999 | null | 74.8 | 169 | 0 | 2 | 7 | 2 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PALLADIUM(2+), TETRAAMMINE-, (SP-4-1)-, DIACETATE | 061495-96-3 | 6,454,208 | azane;palladium(2+);diacetate | CC(=O)[O-].CC(=O)[O-].N.N.N.N.[Pd+2] | InChI=1S/2C2H4O2.4H3N.Pd/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);4*1H3;/q;;;;;;+2/p-2 | WSHXNSFLJBJEGA-UHFFFAOYSA-L | C4H18N4O4Pd | 292.63 | 292.03629 | null | 84.3 | 25 | 0 | 4 | 8 | 0 | 13 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
MAGNESIUM POTASSIUM FLUORIDE | 062601-48-3 | 10,290,779 | magnesium;potassium;trifluoride | [F-].[F-].[F-].[Mg+2].[K+] | InChI=1S/3FH.K.Mg/h3*1H;;/q;;;+1;+2/p-3 | QGKQZUBNOZRZAH-UHFFFAOYSA-K | F3KMg | 120.399 | 119.943958 | null | 0 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
.ALPHA.-[2-[(2-CARBOXYETHYL)THIO]ETHYL]-.OMEGA.-FLUOROPOLY(DIFLUOROMETHYLENE) LITHIUM SALT | 065530-69-0 | 23,674,187 | lithium 3-(3,3,3-trifluoropropylsulfanyl)propanoate | [Li+].C(CSCCC(F)(F)F)C(=O)[O-] | InChI=1S/C6H9F3O2S.Li/c7-6(8,9)2-4-12-3-1-5(10)11;/h1-4H2,(H,10,11);/q;+1/p-1 | WEQTXBLWLWRSCD-UHFFFAOYSA-M | C6H8F3LiO2S | 208.2 | 208.035714 | null | 65.4 | 151 | 0 | 0 | 6 | 5 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-METHYL-, 2-[METHYL[(TRIDECAFLUOROHEXYL)SULFONYL]AMINO]ETHY | 067584-61-6 | 105,454 | 2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3 | MVZJFKDUUZOQFM-UHFFFAOYSA-N | C13H12F13NO4S | 525.28 | 525.027945 | 4.9 | 72.1 | 830 | 0 | 0 | 18 | 11 | 32 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANAL, 2-METHYL-2-(METHYLDITHIO)- | 067952-60-7 | 106,217 | 2-methyl-2-(methyldisulfanyl)propanal | CC(C)(C=O)SSC | InChI=1S/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3 | VLBWEJJOETYCSE-UHFFFAOYSA-N | C5H10OS2 | 150.3 | 150.017307 | 1 | 67.7 | 80 | 0 | 0 | 3 | 3 | 8 | null | 46.00 °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 |
HEXANOIC ACID, 3,5,5-TRIMETHYL-, IRON(2+) IRON(3+) SALT | 068201-82-1 | 109,217 | methane;3,5,5-trimethylhexanoic acid | C.C.CC(CC(=O)O)CC(C)(C)C | InChI=1S/C9H18O2.2CH4/c1-7(5-8(10)11)6-9(2,3)4;;/h7H,5-6H2,1-4H3,(H,10,11);2*1H4 | USXHQLPNVRKLJI-UHFFFAOYSA-N | C11H26O2 | 190.32 | 190.19328 | null | 37.3 | 133 | 0 | 1 | 2 | 4 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANOL, 2-[[2-(2-HYDROXYETHOXY)ETHYL]METHYLAMINO]- | 068213-98-9 | 109,756 | 2-[2-(2-hydroxyethoxy)ethyl-methylamino]ethanol | CN(CCO)CCOCCO | InChI=1S/C7H17NO3/c1-8(2-4-9)3-6-11-7-5-10/h9-10H,2-7H2,1H3 | DHFGYXVVIQTUSZ-UHFFFAOYSA-N | C7H17NO3 | 163.21 | 163.120843 | -1.3 | 52.9 | 80 | 0 | 2 | 4 | 7 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
6-DODECYNE-5,8-DIOL, 2,5,8,11-TETRAMETHYL- | 068227-33-8 | 109,234 | 2,5,8,11-tetramethyldodec-6-yne-5,8-diol | CC(C)CCC(C)(C#CC(C)(CCC(C)C)O)O | InChI=1S/C16H30O2/c1-13(2)7-9-15(5,17)11-12-16(6,18)10-8-14(3)4/h13-14,17-18H,7-10H2,1-6H3 | RHRRUYIZUBAQTQ-UHFFFAOYSA-N | C16H30O2 | 254.41 | 254.22458 | 3.5 | 40.5 | 280 | 0 | 2 | 2 | 8 | 18 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GLYCINE, N-[2-(CARBOXYMETHOXY)ETHYL]-N-[2-[(1-OXODODECYL)AMINO]ETHYL]-, DISODI | 068298-20-4 | 109,973 | disodium;2-[2-(carboxylatomethoxy)ethyl-[2-(dodecanoylamino)ethyl]amino]acetate | CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-].[Na+].[Na+] | InChI=1S/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-12-13-22(16-19(24)25)14-15-28-17-20(26)27;;/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27);;/q;2*+1/p-2 | QKQCPXJIOJLHAL-UHFFFAOYSA-L | C20H36N2Na2O6 | 446.5 | 446.236875 | null | 122 | 420 | 0 | 1 | 7 | 18 | 30 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
PALLADIUM(2+), TETRAAMMINE-, DIHYDROXIDE, (SP-4-1)- | 068413-68-3 | 6,456,004 | azane;palladium(2+);dihydroxide | N.N.N.N.[OH-].[OH-].[Pd+2] | InChI=1S/4H3N.2H2O.Pd/h4*1H3;2*1H2;/q;;;;;;+2/p-2 | IVAVXVKRJTWNEE-UHFFFAOYSA-L | H14N4O2Pd | 208.56 | 208.01516 | null | 6 | 0 | 0 | 6 | 6 | 0 | 7 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,2-ETHANEDIAMINE, N-(2-AMINOETHYL)-, TRIHYDROFLUORIDE | 068444-11-1 | 172,143 | N'-(2-aminoethyl)ethane-1,2-diamine;trihydrofluoride | C(CNCCN)N.F.F.F | InChI=1S/C4H13N3.3FH/c5-1-3-7-4-2-6;;;/h7H,1-6H2;3*1H | HNOFHOVMZQLQHP-UHFFFAOYSA-N | C4H16F3N3 | 163.19 | 163.129632 | null | 64.1 | 26 | 0 | 6 | 6 | 4 | 10 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 2-ETHYLHEXANOICACID (1:1) | 068856-36-0 | 111,386 | 2-ethylhexanoate;2-hydroxyethyl(trimethyl)azanium | CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO | InChI=1S/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1 | XUZNXNABRSCKOA-UHFFFAOYSA-M | C13H29NO3 | 247.37 | 247.214744 | null | 60.4 | 140 | 0 | 1 | 3 | 6 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, HYDROXYPHOSPHONO-, TRISODIUM SALT | 078620-07-2 | 174,151 | trisodium;2-[oxido(oxidooxy)phosphoryl]acetate | C(C(=O)[O-])P(=O)([O-])O[O-].[Na+].[Na+].[Na+] | InChI=1S/C2H5O6P.3Na/c3-2(4)1-9(6,7)8-5;;;/h5H,1H2,(H,3,4)(H,6,7);;;/q;3*+1/p-3 | PLVJYSAWBBKJQL-UHFFFAOYSA-K | C2H2Na3O6P | 221.98 | 221.928208 | null | 113 | 137 | 0 | 0 | 6 | 1 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
Acetonitrile, bromochloro- | 083463-62-1 | 55,004 | 2-bromo-2-chloroacetonitrile | C(#N)C(Cl)Br | InChI=1S/C2HBrClN/c3-2(4)1-5/h2H | BMWPPNAUMLRKML-UHFFFAOYSA-N | C2HBrClN | 154.39 | 152.89809 | 1.5 | 23.8 | 63 | 0 | 0 | 1 | 0 | 5 | null | 138-140 °C | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, [(1-ETHYLPENTYL)OXY]- | 092759-90-5 | 175,522 | 2-heptan-3-yloxyacetic acid | CCCCC(CC)OCC(=O)O | InChI=1S/C9H18O3/c1-3-5-6-8(4-2)12-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) | HIMHBQQZMDPFSB-UHFFFAOYSA-N | C9H18O3 | 174.24 | 174.125594 | 2.4 | 46.5 | 123 | 0 | 1 | 3 | 7 | 12 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HYDROXYLAMINE, O-(3-CHLORO-2-PROPENYL)-, HYDROCHLORIDE, (E)- | 096992-71-1 | 6,440,696 | O-[(E)-3-chloroprop-2-enyl]hydroxylamine;hydrochloride | C(/C=C/Cl)ON.Cl | InChI=1S/C3H6ClNO.ClH/c4-2-1-3-6-5;/h1-2H,3,5H2;1H/b2-1+; | GZDAGPDHXQKVHK-TYYBGVCCSA-N | C3H7Cl2NO | 144 | 142.990469 | null | 35.3 | 46 | 0 | 2 | 2 | 2 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIETHANOLAMINE-SULFUR DIOXIDE COMPLEX | 063149-47-3 | 6,454,530 | 2-(2-hydroxyethylamino)ethanol;sulfur dioxide | C(CO)NCCO.O=S=O | InChI=1S/C4H11NO2.O2S/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2; | JJNBUSRNUXDKBZ-UHFFFAOYSA-N | C4H11NO4S | 169.2 | 169.040879 | null | 87.6 | 47 | 0 | 3 | 6 | 4 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIS(DIPENTYLCARBAMODITHIOATO-S,S')-ANTIMONY | 015890-25-2 | 85,168 | bis(dipentylcarbamothioylsulfanyl)stibanyl N,N-dipentylcarbamodithioate | CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC | InChI=1S/3C11H23NS2.Sb/c3*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,13,14);/q;;;+3/p-3 | ACNHBJQDDXQFAT-UHFFFAOYSA-K | C33H66N3S6Sb | 819.1 | 817.26191 | null | 182 | 579 | 0 | 0 | 6 | 30 | 43 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-AMINOPROPENAL ACETIC ACID | 024599-25-5 | 100,321 | 2-(prop-2-enoylamino)acetic acid | C=CC(=O)NCC(=O)O | InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9) | LZCXCXDOGAEFQX-UHFFFAOYSA-N | C5H7NO3 | 129.11 | 129.042593 | -0.3 | 66.4 | 141 | 0 | 2 | 3 | 3 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,2-DINITROGLYCERIN | 000621-65-8 | 79,076 | (1-hydroxy-3-nitrooxypropan-2-yl) nitrate | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O | InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2 | GFVHBTOOPNJKLV-UHFFFAOYSA-N | C3H6N2O7 | 182.09 | 182.017501 | 0.7 | 130 | 159 | 0 | 1 | 7 | 4 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PALLADIUM ETHYLENEDIAMINE SULFATE | 027910-90-3 | 75,124,207 | bis(ethane-1,2-diamine);palladium(2+);sulfate | C(CN)N.C(CN)N.[O-]S(=O)(=O)[O-].[Pd+2] | InChI=1S/2C2H8N2.H2O4S.Pd/c2*3-1-2-4;1-5(2,3)4;/h2*1-4H2;(H2,1,2,3,4);/q;;;+2/p-2 | VSMQONWUQMZYAX-UHFFFAOYSA-L | C4H16N4O4PdS | 322.68 | 321.99271 | null | 193 | 68 | 0 | 4 | 8 | 2 | 14 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
COPPER SULFATE | 067989-88-2 | 172,642,988 | azanium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[Cu+2] | InChI=1S/C10H16N2O8.Cu.H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H3/q;+2;/p-3 | CMHPCPKGHHIRER-UHFFFAOYSA-K | C10H16CuN3O8- | 369.8 | 369.023337 | null | 168 | 321 | -1 | 1 | 10 | 0 | 22 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYLENEDIAMINE DIACETIC ACID, DISODIUM SALT | 038011-25-5 | 61,974 | disodium;2-[2-(carboxylatomethylamino)ethylamino]acetate | C(CNCC(=O)[O-])NCC(=O)[O-].[Na+].[Na+] | InChI=1S/C6H12N2O4.2Na/c9-5(10)3-7-1-2-8-4-6(11)12;;/h7-8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2 | QMIFISRIAJBCGZ-UHFFFAOYSA-L | C6H10N2Na2O4 | 220.13 | 220.043595 | null | 104 | 131 | 0 | 2 | 6 | 5 | 14 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,5,5,6,6,10-HEXACHLORODECANE | 090943-97-8 | 121,232,978 | 1,5,5,6,6,10-hexachlorodecane | C(CCCl)CC(C(CCCCCl)(Cl)Cl)(Cl)Cl | InChI=1S/C10H16Cl6/c11-7-3-1-5-9(13,14)10(15,16)6-2-4-8-12/h1-8H2 | WFXBVJBVCUQCGH-UHFFFAOYSA-N | C10H16Cl6 | 348.9 | 347.935367 | 5.9 | 0 | 160 | 0 | 0 | 0 | 9 | 16 | null | null | 1 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
MOLYBDENUM (V) ETHOXIDE | 065756-25-4 | 21,200,430 | ethanolate;molybdenum | CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Mo] | InChI=1S/5C2H5O.Mo/c5*1-2-3;/h5*2H2,1H3;/q5*-1; | YZEGBLRYVFVTTE-UHFFFAOYSA-N | C10H25MoO5-5 | 321.25 | 323.075603 | null | 115 | 2 | -5 | 0 | 5 | 0 | 16 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GUANIDINE , MONOHYDROPDIDE | 019227-70-4 | 19,820,467 | guanidine;hydroiodide | C(=N)(N)N.I | InChI=1S/CH5N3.HI/c2-1(3)4;/h(H5,2,3,4);1H | UUDRLGYROXTISK-UHFFFAOYSA-N | CH6IN3 | 186.98 | 186.96064 | null | 75.9 | 26 | 0 | 4 | 1 | 0 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHOCREATINE, SODIUM SALT | 000922-32-7 | 71,588 | disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid | CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.[Na+].[Na+] | InChI=1S/C4H10N3O5P.2Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-2 | RNTXMYSPASRLFT-UHFFFAOYSA-L | C4H8N3Na2O5P | 255.08 | 254.999696 | null | 142 | 259 | 0 | 2 | 6 | 3 | 15 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GLYPHOSATE-TRIMESIUM | 081591-81-3 | 105,048 | 2-(phosphonomethylamino)acetate;trimethylsulfanium | C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O | InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1 | RUCAXVJJQQJZGU-UHFFFAOYSA-M | C6H16NO5PS | 245.24 | 245.048681 | null | 111 | 165 | 0 | 3 | 6 | 3 | 14 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANEDIOIC ACID, DILITHIUM SALT | 018621-94-8 | 167,733 | dilithium;hexanedioate | [Li+].[Li+].C(CCC(=O)[O-])CC(=O)[O-] | InChI=1S/C6H10O4.2Li/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2 | ZPJGNHUPXGDASP-UHFFFAOYSA-L | C6H8Li2O4 | 158.1 | 158.074266 | null | 80.3 | 103 | 0 | 0 | 4 | 3 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,2,3,3-TETRACHLOROHEXAFLUOROBUTANE | 000375-34-8 | 67,811 | 2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane | C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)(Cl)Cl | InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 | BZBLUUDREZEDDJ-UHFFFAOYSA-N | C4Cl4F6 | 303.8 | 303.86288 | 4.8 | 0 | 191 | 0 | 0 | 6 | 1 | 14 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
VANADIUM SULFATE | 013566-06-8 | 166,848 | vanadium(2+) sulfate | [O-]S(=O)(=O)[O-].[V+2] | InChI=1S/H2O4S.V/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2 | VLOPEOIIELCUML-UHFFFAOYSA-L | O4SV | 147.01 | 146.895687 | null | 88.6 | 62 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFURIC ACID, IRON(3+) SALT (3:2), HEPTAHYDRATE | 035139-28-7 | 56,841,451 | bis(iron(3+));trisulfate;heptahydrate | O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3] | InChI=1S/2Fe.3H2O4S.7H2O/c;;3*1-5(2,3)4;;;;;;;/h;;3*(H2,1,2,3,4);7*1H2/q2*+3;;;;;;;;;;/p-6 | XNCMOUSLNOHBKY-UHFFFAOYSA-H | Fe2H14O19S3 | 526 | 525.799013 | null | 273 | 62 | 0 | 7 | 19 | 0 | 24 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,1,3,3-TETRAETHOXYPROPANE | 000122-31-6 | 67,147 | 1,1,3,3-tetraethoxypropane | CCOC(CC(OCC)OCC)OCC | InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3 | KVJHGPAAOUGYJX-UHFFFAOYSA-N | C11H24O4 | 220.31 | 220.167459 | 1.8 | 36.9 | 104 | 0 | 0 | 4 | 10 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-[2-(ETHENYLOXY)ETHOXY]ETHYL ESTER | 086273-46-3 | 23,067,259 | 2-(2-ethenoxyethoxy)ethyl prop-2-enoate | C=CC(=O)OCCOCCOC=C | InChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3-4H,1-2,5-8H2 | URQQDYIVGXOEDA-UHFFFAOYSA-N | C9H14O4 | 186.2 | 186.089209 | 1.2 | 44.8 | 165 | 0 | 0 | 4 | 9 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
GALLIUM ANTIMONIDE | 012064-03-8 | 6,335,277 | gallium antimony | [Ga+3].[Sb] | InChI=1S/Ga.Sb/q+3; | HDDJZDZAJXHQIL-UHFFFAOYSA-N | GaSb+3 | 191.483 | 189.82938 | null | 0 | 0 | 3 | 0 | 0 | 0 | 2 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POTASSIUM CARBONATE SESQUIHYDRATE | 006381-79-9 | 2,734,018 | tetrapotassium;dicarbonate;trihydrate | C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.[K+].[K+].[K+].[K+] | InChI=1S/2CH2O3.4K.3H2O/c2*2-1(3)4;;;;;;;/h2*(H2,2,3,4);;;;;3*1H2/q;;4*+1;;;/p-4 | WWVGGBSGYNQKCY-UHFFFAOYSA-J | C2H6K4O9 | 330.46 | 329.856008 | null | 129 | 18 | 0 | 3 | 9 | 0 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SODIUM HEXACHLORORHODATE(III) | 014972-70-4 | 161,102 | trisodium;rhodium(3+);hexachloride | [Na+].[Na+].[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3] | InChI=1S/6ClH.3Na.Rh/h6*1H;;;;/q;;;;;;3*+1;+3/p-6 | YDEXHLGYVJSKTN-UHFFFAOYSA-H | Cl6Na3Rh | 384.6 | 383.68497 | null | 0 | 0 | 0 | 0 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
COBALT(II) IODIDE | 015238-00-3 | 84,850 | cobalt(2+) diiodide | [Co+2].[I-].[I-] | InChI=1S/Co.2HI/h;2*1H/q+2;;/p-2 | AVWLPUQJODERGA-UHFFFAOYSA-L | CoI2 | 312.7421 | 312.74214 | null | 0 | 0 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
9,10-DIHYDROXYSTEARIC ACID | 000636-33-9 | 89,377 | 9,10-dihydroxyoctadecanoic acid | CCCCCCCCC(C(CCCCCCCC(=O)O)O)O | InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22) | VACHUYIREGFMSP-UHFFFAOYSA-N | C18H36O4 | 316.5 | 316.26136 | 5.1 | 77.8 | 255 | 0 | 3 | 4 | 16 | 22 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYLAMMONIUM IODIDE | 014965-49-2 | 519,034 | methylazanium iodide | C[NH3+].[I-] | InChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1H | LLWRXQXPJMPHLR-UHFFFAOYSA-N | CH6IN | 158.97 | 158.9545 | null | 27.6 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PRASEODYMIUM BARIUM COPPER OXIDE | null | 137,300,683 | oxobarium;oxocopper;oxo(oxopraseodymiooxy)praseodymium | O=[Cu].O=[Cu].O=[Cu].O=[Ba].O=[Ba].O=[Pr]O[Pr]=O | InChI=1S/2Ba.3Cu.8O.2Pr | LMAGVTZYWXQNES-UHFFFAOYSA-N | Ba2Cu3O8Pr2 | 875.1 | 876.37211 | null | 129 | 38 | 0 | 0 | 8 | 0 | 15 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BARIUM TRIFLUOROACETATE HYDRATE | null | 15,976,007 | barium(2+);bis(2,2,2-trifluoroacetate) | C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Ba+2] | InChI=1S/2C2HF3O2.Ba/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2 | BQJILRFOGPBJQJ-UHFFFAOYSA-L | C4BaF6O4 | 363.36 | 363.875325 | null | 80.3 | 77 | 0 | 0 | 10 | 0 | 15 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-CYANO-1-BUTANETHIOL | null | 22,033,187 | 5-sulfanylpentanenitrile | C(CCS)CC#N | InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2 | PABCJNLBWRWMLO-UHFFFAOYSA-N | C5H9NS | 115.2 | 115.045571 | 0.9 | 24.8 | 71 | 0 | 1 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Carbonic acid, dilithium salt and 2-chloro-10-(3-(dimethylamino)propyl)phenoth | null | 767 | carbonic acid | C(=O)(O)O | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) | BVKZGUZCCUSVTD-UHFFFAOYSA-N | CH2O3 | 62.025 | 62.000394 | -0.1 | 57.5 | 26 | 0 | 2 | 3 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NONANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-, | 068908-77-0 | 70,709 | nonanamide | CCCCCCCCC(=O)N | InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11) | GHLZUHZBBNDWHW-UHFFFAOYSA-N | C9H19NO | 157.25 | 157.146664 | 2.9 | 43.1 | 102 | 0 | 1 | 1 | 7 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIBASIC ESTER | null | 125,339 | dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate | COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC | InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3 | QYMFNZIUDRQRSA-UHFFFAOYSA-N | C21H36O12 | 480.5 | 480.220677 | null | 158 | 374 | 0 | 0 | 12 | 18 | 33 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZWITTERGENT 3-12 | null | 84,703 | 3-[dodecyl(dimethyl)azaniumyl]propane-1-sulfonate | CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] | InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3 | IZWSFJTYBVKZNK-UHFFFAOYSA-N | C17H37NO3S | 335.5 | 335.249415 | 5 | 65.6 | 334 | 0 | 0 | 3 | 14 | 22 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
POLYLACTIC ACID (PLA) | null | 92,209 | 2-methoxypropanoic acid | CC(C(=O)O)OC | InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6) | ICPWFHKNYYRBSZ-UHFFFAOYSA-N | C4H8O3 | 104.1 | 104.047344 | 0.1 | 46.5 | 69 | 0 | 1 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
O-METHYLHYDROXYLAMINE HYDROCHLORIDE | 000593-56-6 | 521,874 | O-methylhydroxylamine;hydrochloride | CON.Cl | InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H | XNXVOSBNFZWHBV-UHFFFAOYSA-N | CH6ClNO | 83.52 | 83.013792 | null | 35.3 | 4 | 0 | 2 | 2 | 0 | 4 | null | null | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 |
FERRIC ACETYLACETONATE | 014024-18-1 | 5,483,663 | iron(3+);tris((Z)-4-oxopent-2-en-2-olate) | C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Fe+3] | InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-; | AQBLLJNPHDIAPN-LNTINUHCSA-K | C15H21FeO6 | 353.17 | 353.068749 | null | 120 | 90 | 0 | 0 | 6 | 3 | 22 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(2-ETHYLHEXYL)AMINE | 000106-20-7 | 7,791 | 2-ethyl-N-(2-ethylhexyl)hexan-1-amine | CCCCC(CC)CNCC(CC)CCCC | InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3 | SAIKULLUBZKPDA-UHFFFAOYSA-N | C16H35N | 241.46 | 241.27695 | 6.1 | 12 | 128 | 0 | 1 | 1 | 12 | 17 | 270 °F (NTP, 1992) | 538 °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 | 0 |
TRIMETHYL-N,2-HYDROXYETHYL-PROPYLENEDIAMINE | 082136-26-3 | 3,086,144 | 2-[3-(dimethylamino)propyl-methylamino]ethanol | CN(C)CCCN(C)CCO | InChI=1S/C8H20N2O/c1-9(2)5-4-6-10(3)7-8-11/h11H,4-8H2,1-3H3 | KPRGCHOFIFFEST-UHFFFAOYSA-N | C8H20N2O | 160.26 | 160.157563 | 0 | 26.7 | 86 | 0 | 1 | 3 | 6 | 11 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NICKEL(II) OXALATE DIHYDRATE | 006018-94-6 | 516,789 | nickel(2+);oxalate;dihydrate | C(=O)(C(=O)[O-])[O-].O.O.[Ni+2] | InChI=1S/C2H2O4.Ni.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2 | VNYOIRCILMCTHO-UHFFFAOYSA-L | C2H4NiO6 | 182.74 | 181.936129 | null | 82.3 | 60 | 0 | 2 | 6 | 0 | 9 | null | null | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
TITANIUM POTASSIUM OXALATE | 014481-26-6 | 50,915,936 | dipotassium;oxalate;oxygen(2-);titanium(4+) | C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[O-2].[K+].[K+].[Ti+4] | InChI=1S/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;-2;+4/p-4 | GKMXREIWPASRMP-UHFFFAOYSA-J | C4K2O9Ti | 318.1 | 317.829585 | null | 162 | 60 | 0 | 0 | 9 | 0 | 16 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-(6-AMINOHEXYL)-1,6-HEXANEDIAMINE | 000143-23-7 | 8,924 | N'-(6-aminohexyl)hexane-1,6-diamine | C(CCCNCCCCCCN)CCN | InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2 | MRNZSTMRDWRNNR-UHFFFAOYSA-N | C12H29N3 | 215.38 | 215.236148 | 0.8 | 64.1 | 95 | 0 | 3 | 3 | 12 | 15 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIMETHYL PHOSPHATE | 000813-78-5 | 13,134 | dimethyl hydrogen phosphate | COP(=O)(O)OC | InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4) | KKUKTXOBAWVSHC-UHFFFAOYSA-N | C2H7O4P | 126.05 | 126.008196 | -1.2 | 55.8 | 81 | 0 | 1 | 4 | 2 | 7 | greater than 200 °F (NTP, 1992) | 342 to 349 °F at 760 mmHg (decomposes) (NTP, 1992) | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
CHROMIUM TRIBROMIDE | 010031-25-1 | 5,155,129 | tribromochromium | [Cr](Br)(Br)Br | InChI=1S/3BrH.Cr/h3*1H;/q;;;+3/p-3 | UZDWIWGMKWZEPE-UHFFFAOYSA-K | Br3Cr | 291.71 | 290.69347 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 |
ETHANEDIOIC ACID, COBALT(2+) SALT (1:1) | 000814-89-1 | 24,190,661 | cobalt;oxalic acid | C(=O)(C(=O)O)O.[Co] | InChI=1S/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6); | GHVNNFKGRJGVLD-UHFFFAOYSA-N | C2H2CoO4 | 148.97 | 148.928502 | null | 74.6 | 71 | 0 | 2 | 4 | 1 | 7 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
1,8-OCTANEDIAMINE, 4-(AMINOMETHYL)- | 001572-55-0 | 94,211 | 4-(aminomethyl)octane-1,8-diamine | C(CCN)CC(CCCN)CN | InChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2 | HMJBXEZHJUYJQY-UHFFFAOYSA-N | C9H23N3 | 173.3 | 173.189198 | -0.6 | 78.1 | 85 | 0 | 3 | 3 | 8 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANOL, 2-AMINO-, ETHANEDIOATE (2:1) (SALT) | 002799-19-1 | 165,036 | bis(2-aminoethanol);oxalic acid | C(CO)N.C(CO)N.C(=O)(C(=O)O)O | InChI=1S/2C2H7NO.C2H2O4/c2*3-1-2-4;3-1(4)2(5)6/h2*4H,1-3H2;(H,3,4)(H,5,6) | LRWMQRKAIGWOKP-UHFFFAOYSA-N | C6H16N2O6 | 212.2 | 212.100836 | null | 167 | 81 | 0 | 6 | 8 | 3 | 14 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-(TRIMETHOXYSILYL)PROPYL ISOCYANATE | 015396-00-6 | 84,892 | 3-isocyanatopropyl(trimethoxy)silane | CO[Si](CCCN=C=O)(OC)OC | InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3 | FMGBDYLOANULLW-UHFFFAOYSA-N | C7H15NO4Si | 205.28 | 205.077035 | null | 57.1 | 169 | 0 | 0 | 5 | 7 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
PROPANOIC ACID, 3-MERCAPTO-, 1,2-ETHANEDIYL ESTER | 022504-50-3 | 89,735 | 2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate | C(CS)C(=O)OCCOC(=O)CCS | InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2 | HAQZWTGSNCDKTK-UHFFFAOYSA-N | C8H14O4S2 | 238.3 | 238.033351 | 0.5 | 54.6 | 164 | 0 | 2 | 6 | 9 | 14 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BORON, TRICHLORO(N,N-DIMETHYL-1-OCTANAMINE)-, (T-4)- | 034762-90-8 | 72,698,549 | trichloro-[dimethyl(octyl)azaniumyl]boranuide | [B-]([N+](C)(C)CCCCCCCC)(Cl)(Cl)Cl | InChI=1S/C10H23BCl3N/c1-4-5-6-7-8-9-10-15(2,3)11(12,13)14/h4-10H2,1-3H3 | FXWXWPYCGVUYAA-UHFFFAOYSA-N | C10H23BCl3N | 274.5 | 273.098913 | null | 0 | 169 | 0 | 0 | 1 | 7 | 15 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 |
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