CAS RN: 73926-96-2
CAS Name: 2-(2-mercaptoethylamino)butanedioic acid diethyl ester chloride
OPENEYE Name: diethyl 2-(2-sulfanylethylamino)butanedioate chloride
IUPAC Name: diethyl 2-(2-sulfanylethylamino)butanedioate chloride
SYSTEMATIC NAME: diethyl 2-(2-sulfanylethylamino)butanedioate chloride
MOLECULAR FORMULA: C10H19ClNO4S-
MOLECULAR WEIGHT: 284.78016
SMILES: CCOC(=O)CC(C(=O)OCC)NCCS.[Cl-]
Structure:
CAS RN: 53498-86-5
CAS Name: 3-[4-[bis(1-aziridinyl)phosphinothioylamino]phenyl]propanoic acid; sodium
OPENEYE Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium
IUPAC Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium
SYSTEMATIC NAME: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium
MOLECULAR FORMULA: C13H18N3NaO2PS
MOLECULAR WEIGHT: 334.329451
SMILES: C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)O)N3CC3.[Na]
Structure:
CAS RN: 13207-71-1
CAS Name: 5,7-diamino-8-quinolinol chloride
OPENEYE Name: 5,7-diaminoquinolin-8-ol chloride
IUPAC Name: 5,7-diaminoquinolin-8-ol chloride
SYSTEMATIC NAME: 5,7-bis(azanyl)quinolin-8-ol chloride
MOLECULAR FORMULA: C9H9ClN3O-
MOLECULAR WEIGHT: 210.64026
SMILES: C1=CC2=C(C(=C(C=C2N)N)O)N=C1.[Cl-]
Structure:
CAS RN: 15669-45-1
CAS Name: copper 5-bromo-8-quinolinolate
OPENEYE Name: copper 5-bromoquinolin-8-olate
IUPAC Name: copper 5-bromoquinolin-8-olate
SYSTEMATIC NAME: copper 5-bromanylquinolin-8-olate
MOLECULAR FORMULA: C18H10Br2CuN2O2
MOLECULAR WEIGHT: 509.6382
SMILES: C1=CC2=C(C=CC(=C2N=C1)[O-])Br.C1=CC2=C(C=CC(=C2N=C1)[O-])Br.[Cu+2]
Structure:
CAS RN: 3935-51-1
CAS Name: 3-(dimethylamino)-1-(4-fluorophenyl)-1-propanone chloride
OPENEYE Name: 3-(dimethylamino)-1-(4-fluorophenyl)propan-1-one chloride
IUPAC Name: 3-(dimethylamino)-1-(4-fluorophenyl)propan-1-one chloride
SYSTEMATIC NAME: 3-(dimethylamino)-1-(4-fluorophenyl)propan-1-one chloride
MOLECULAR FORMULA: C11H14ClFNO-
MOLECULAR WEIGHT: 230.686363
SMILES: CN(C)CCC(=O)C1=CC=C(C=C1)F.[Cl-]
Structure:
CAS RN: 25287-61-0
CAS Name: 1-(dimethylamino)-4-methyl-3-pentanone hydrochloride
OPENEYE Name: 1-(dimethylamino)-4-methyl-pentan-3-one hydrochloride
IUPAC Name: 1-(dimethylamino)-4-methylpentan-3-one hydrochloride
SYSTEMATIC NAME: 1-(dimethylamino)-4-methyl-pentan-3-one hydrochloride
MOLECULAR FORMULA: C8H18ClNO
MOLECULAR WEIGHT: 179.68762
SMILES: CC(C)C(=O)CCN(C)C.Cl
Structure:
CAS RN: 1643-84-1
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-N-(2-fluoroethyl)ethanamine chloride
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-N-(2-fluoroethyl)ethanamine chloride
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-N-(2-fluoroethyl)ethanamine chloride
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-fluoranyl-N-(2-fluoranylethyl)ethanamine chloride
MOLECULAR FORMULA: C12H15ClF2NO2-
MOLECULAR WEIGHT: 278.702806
SMILES: C1OC2=C(O1)C=C(C=C2)CN(CCF)CCF.[Cl-]
Structure:
CAS RN: 53382-07-3
CAS Name: 2-iodo-N-(2-iodoethyl)ethanamine hydroiodide
OPENEYE Name: 2-iodo-N-(2-iodoethyl)ethanamine hydroiodide
IUPAC Name: 2-iodo-N-(2-iodoethyl)ethanamine hydroiodide
SYSTEMATIC NAME: 2-iodanyl-N-(2-iodanylethyl)ethanamine hydroiodide
MOLECULAR FORMULA: C4H10I3N
MOLECULAR WEIGHT: 452.84231
SMILES: C(CI)NCCI.I
Structure:
CAS RN: 5590-29-4
CAS Name: N'-(2-chloroethyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N'-(2-chloroethyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N'-(2-chloroethyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-(2-chloroethyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C4H12Cl2N2
MOLECULAR WEIGHT: 159.05748
SMILES: C(CNCCCl)N.Cl
Structure:
CAS RN: 6089-20-9
CAS Name: N-(2-bromoethyl)-2-chloroethanamine hydrochloride
OPENEYE Name: N-(2-bromoethyl)-2-chloro-ethanamine hydrochloride
IUPAC Name: N-(2-bromoethyl)-2-chloroethanamine hydrochloride
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-ethanamine hydrochloride
MOLECULAR FORMULA: C4H10BrCl2N
MOLECULAR WEIGHT: 222.9389
SMILES: C(CCl)NCCBr.Cl
Structure:
CAS RN: 1553-21-5
CAS Name: sodium; sulfuric acid [4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] ester
OPENEYE Name: [4-[1-ethyl-2-(4-sulfooxyphenyl)but-1-enyl]phenyl] hydrogen sulfate; sodium
IUPAC Name: sodium; [4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate
SYSTEMATIC NAME: sodium; [4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate
MOLECULAR FORMULA: C18H20NaO8S2
MOLECULAR WEIGHT: 451.46637
SMILES: CCC(=C(CC)C1=CC=C(C=C1)OS(=O)(=O)O)C2=CC=C(C=C2)OS(=O)(=O)O.[Na]
Structure:
CAS RN: 73728-41-3
CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-(4-morpholinyl)ethyl ester chloride
OPENEYE Name: 2-morpholinoethyl 2-oxochromene-3-carboxylate chloride
IUPAC Name: 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate chloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 2-oxidanylidenechromene-3-carboxylate chloride
MOLECULAR FORMULA: C16H17ClNO5-
MOLECULAR WEIGHT: 338.76288
SMILES: C1COCCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O.[Cl-]
Structure:
CAS RN: 43047-84-3
CAS Name: 5-tert-butyl-2-hydroxybenzenesulfonic acid; sodium
OPENEYE Name: 5-tert-butyl-2-hydroxy-benzenesulfonic acid; sodium
IUPAC Name: 5-tert-butyl-2-hydroxybenzenesulfonic acid; sodium
SYSTEMATIC NAME: 5-tert-butyl-2-oxidanyl-benzenesulfonic acid; sodium
MOLECULAR FORMULA: C10H14NaO4S
MOLECULAR WEIGHT: 253.27053
SMILES: CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 60198-31-4
CAS Name: [bromo(triphenylphosphoranylidene)methyl]-triphenylphosphonium bromide
OPENEYE Name: [bromo-(triphenyl-$l^{5}-phosphanylidene)methyl]-triphenyl-phosphonium bromide
IUPAC Name: [bromo-(triphenyl-$l^{5}-phosphanylidene)methyl]-triphenylphosphanium bromide
SYSTEMATIC NAME: [bromanyl-(triphenyl-$l^{5}-phosphanylidene)methyl]-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C37H30Br2P2
MOLECULAR WEIGHT: 696.389622
SMILES: C1=CC=C(C=C1)P(=C([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
Structure:
CAS RN: 7145-86-0
CAS Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium
OPENEYE Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium
IUPAC Name: 9-butyl-3,7-dihydropurine-6,8-dione; sodium
SYSTEMATIC NAME: 9-butyl-3,7-dihydropurine-6,8-dione; sodium
MOLECULAR FORMULA: C9H12N4NaO2
MOLECULAR WEIGHT: 231.20695
SMILES: CCCCN1C2=C(C(=O)N=CN2)NC1=O.[Na]
Structure:
CAS RN: 6369-35-3
CAS Name: 7-[[(3-aminophenyl)-oxomethyl]amino]-4-oxo-3-(phenylhydrazinylidene)-2-naphthalenesulfonic acid; sodium
OPENEYE Name: 7-[(3-aminobenzoyl)amino]-4-oxo-3-(phenylhydrazono)naphthalene-2-sulfonic acid; sodium
IUPAC Name: 7-[(3-aminobenzoyl)amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 7-[(3-aminophenyl)carbonylamino]-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C23H18N4NaO5S
MOLECULAR WEIGHT: 485.46759
SMILES: C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC(=CC=C4)N)S(=O)(=O)O.[Na]
Structure:
CAS RN: 6362-29-4
CAS Name: 4-[bis[4-(dimethylamino)phenyl]-hydroxymethyl]benzenesulfonic acid; sodium
OPENEYE Name: 4-[bis[4-(dimethylamino)phenyl]-hydroxy-methyl]benzenesulfonic acid; sodium
IUPAC Name: 4-[bis[4-(dimethylamino)phenyl]-hydroxymethyl]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-[bis[4-(dimethylamino)phenyl]-oxidanyl-methyl]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C23H26N2NaO4S
MOLECULAR WEIGHT: 449.51831
SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)S(=O)(=O)O)O.[Na]
Structure:
CAS RN: 73603-14-2
CAS Name: 2-chloroethyl dihydrogen phosphate; sodium
OPENEYE Name: 2-chloroethyl dihydrogen phosphate; sodium
IUPAC Name: 2-chloroethyl dihydrogen phosphate; sodium
SYSTEMATIC NAME: 2-chloroethyl dihydrogen phosphate; sodium
MOLECULAR FORMULA: C2H6ClNaO4P
MOLECULAR WEIGHT: 183.483171
SMILES: C(CCl)OP(=O)(O)O.[Na]
Structure:
CAS RN: 69470-31-1
CAS Name: 1,3-bis(dimethylamino)-2-propanol hydrochloride
OPENEYE Name: 1,3-bis(dimethylamino)propan-2-ol hydrochloride
IUPAC Name: 1,3-bis(dimethylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1,3-bis(dimethylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C7H19ClN2O
MOLECULAR WEIGHT: 182.69156
SMILES: CN(C)CC(CN(C)C)O.Cl
Structure:
CAS RN: 89182-64-9
CAS Name: 2-(2,4,4-trimethylpentan-2-ylamino)acetonitrile hydrochloride
OPENEYE Name: 2-(1,1,3,3-tetramethylbutylamino)acetonitrile hydrochloride
IUPAC Name: 2-(2,4,4-trimethylpentan-2-ylamino)acetonitrile hydrochloride
SYSTEMATIC NAME: 2-(2,4,4-trimethylpentan-2-ylamino)ethanenitrile hydrochloride
MOLECULAR FORMULA: C10H21ClN2
MOLECULAR WEIGHT: 204.74014
SMILES: CC(C)(C)CC(C)(C)NCC#N.Cl
Structure:
CAS RN: 26487-67-2
CAS Name: 1-(2-chloroethyl)azepane hydrochloride
OPENEYE Name: 1-(2-chloroethyl)azepane hydrochloride
IUPAC Name: 1-(2-chloroethyl)azepane hydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)azepane hydrochloride
MOLECULAR FORMULA: C8H17Cl2N
MOLECULAR WEIGHT: 198.13328
SMILES: C1CCCN(CC1)CCCl.Cl
Structure:
CAS RN: 16698-16-1
CAS Name: 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid; sodium
OPENEYE Name: 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid; sodium
IUPAC Name: 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid; sodium
SYSTEMATIC NAME: 4-acetamido-5-oxidanyl-naphthalene-2,7-disulfonic acid; sodium
MOLECULAR FORMULA: C12H11NNaO8S2
MOLECULAR WEIGHT: 384.33741
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 7356-64-1
CAS Name: 3-[[4-(methylthio)phenyl]methyl]-5-oxadiazol-3-iumolate
OPENEYE Name: 3-[(4-methylsulfanylphenyl)methyl]oxadiazol-3-ium-5-olate
IUPAC Name: 3-[(4-methylsulfanylphenyl)methyl]oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-[(4-methylsulfanylphenyl)methyl]-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: CSC1=CC=C(C=C1)C[N+]2=NOC(=C2)[O-]
Structure:
CAS RN: 2874-00-2
CAS Name: 3-(dimethylamino)-2-phenylpropanenitrile chloride
OPENEYE Name: 3-(dimethylamino)-2-phenyl-propanenitrile chloride
IUPAC Name: 3-(dimethylamino)-2-phenylpropanenitrile chloride
SYSTEMATIC NAME: 3-(dimethylamino)-2-phenyl-propanenitrile chloride
MOLECULAR FORMULA: C11H14ClN2-
MOLECULAR WEIGHT: 209.69526
SMILES: CN(C)CC(C#N)C1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 42074-70-4
CAS Name: carbamimidothioic acid (2,4-dioxo-1H-pyrimidin-5-yl) ester chloride
OPENEYE Name: 2-(2,4-dioxo-1H-pyrimidin-5-yl)isothiourea chloride
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl) carbamimidothioate chloride
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] carbamimidothioate chloride
MOLECULAR FORMULA: C5H6ClN4O2S-
MOLECULAR WEIGHT: 221.64474
SMILES: C1=C(C(=O)NC(=O)N1)SC(=N)N.[Cl-]
Structure:
CAS RN: 7145-55-3
CAS Name: 1H-indole-3-carboxylic acid 2-(diethylamino)ethyl ester chloride
OPENEYE Name: 2-(diethylamino)ethyl 1H-indole-3-carboxylate chloride
IUPAC Name: 2-(diethylamino)ethyl 1H-indole-3-carboxylate chloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 1H-indole-3-carboxylate chloride
MOLECULAR FORMULA: C15H20ClN2O2-
MOLECULAR WEIGHT: 295.7845
SMILES: CCN(CC)CCOC(=O)C1=CNC2=CC=CC=C21.[Cl-]
Structure:
CAS RN: 7145-51-9
CAS Name: 3-(4-piperidinyl)propanoic acid 2-(diethylamino)ethyl ester chloride
OPENEYE Name: 2-(diethylamino)ethyl 3-(4-piperidyl)propanoate chloride
IUPAC Name: 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate chloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate chloride
MOLECULAR FORMULA: C14H28ClN2O2-
MOLECULAR WEIGHT: 291.83732
SMILES: CCN(CC)CCOC(=O)CCC1CCNCC1.[Cl-]
Structure:
CAS RN: 7145-50-8
CAS Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]acetic acid chloride
OPENEYE Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]acetic acid chloride
IUPAC Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]acetic acid chloride
SYSTEMATIC NAME: 2-[4-[2-(diethylamino)ethoxy]phenyl]ethanoic acid chloride
MOLECULAR FORMULA: C14H21ClNO3-
MOLECULAR WEIGHT: 286.77444
SMILES: CCN(CC)CCOC1=CC=C(C=C1)CC(=O)O.[Cl-]
Structure:
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