Tuesday, August 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N'-isopropylpyridine-4-carbohydrazide; phosphoric acid
CAS Name: phosphoric acid; N'-propan-2-yl-4-pyridinecarbohydrazide
IUPAC NAME: phosphoric acid; N'-propan-2-ylpyridine-4-carbohydrazide
SYSTEMATIC NAME: phosphoric acid; N'-propan-2-ylpyridine-4-carbohydrazide
MOLECULAR FORMULA: C9H16N3O5P
MOLECULAR WEIGHT: 277.214201
SMILES: CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O
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Product OPENEYE NAME: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
IUPAC NAME: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C9H14N4O3
MOLECULAR WEIGHT: 226.23246
SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
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Product OPENEYE NAME: 2,6-diiodo-4-nitro-phenol
CAS Name: 2,6-diiodo-4-nitrophenol
IUPAC NAME: 2,6-diiodo-4-nitrophenol
SYSTEMATIC NAME: 2,6-bis(iodanyl)-4-nitro-phenol
MOLECULAR FORMULA: C6H3I2NO3
MOLECULAR WEIGHT: 390.90186
SMILES: C1=C(C=C(C(=C1I)O)I)[N+](=O)[O-]
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Product OPENEYE NAME: 2-chloro-N,N-bis(2-furylmethyl)ethanamine hydrochloride
CAS Name: 2-chloro-N,N-bis(2-furanylmethyl)ethanamine hydrochloride
IUPAC NAME: 2-chloro-N,N-bis(furan-2-ylmethyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N,N-bis(furan-2-ylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C12H15Cl2NO2
MOLECULAR WEIGHT: 276.159
SMILES: C1=COC(=C1)CN(CCCl)CC2=CC=CO2.Cl
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Product OPENEYE NAME: 2-chloro-N,N-bis(2-furylmethyl)ethanamine
CAS Name: 2-chloro-N,N-bis(2-furanylmethyl)ethanamine
IUPAC NAME: 2-chloro-N,N-bis(furan-2-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N,N-bis(furan-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C12H14ClNO2
MOLECULAR WEIGHT: 239.69806
SMILES: C1=COC(=C1)CN(CCCl)CC2=CC=CO2
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Product OPENEYE NAME: N-benzyl-N-methyl-prop-2-yn-1-amine hydrochloride
CAS Name: N-methyl-N-(phenylmethyl)-2-propyn-1-amine hydrochloride
IUPAC NAME: N-benzyl-N-methylprop-2-yn-1-amine hydrochloride
SYSTEMATIC NAME: N-methyl-N-(phenylmethyl)prop-2-yn-1-amine hydrochloride
MOLECULAR FORMULA: C11H14ClN
MOLECULAR WEIGHT: 195.68856
SMILES: CN(CC#C)CC1=CC=CC=C1.Cl
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Product OPENEYE NAME: [5-(aminooxymethyl)-2-bromo-phenyl] dihydrogen phosphate
CAS Name: [5-(aminooxymethyl)-2-bromophenyl] dihydrogen phosphate
IUPAC NAME: [5-(aminooxymethyl)-2-bromophenyl] dihydrogen phosphate
SYSTEMATIC NAME: [5-(azanyloxymethyl)-2-bromanyl-phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C7H9BrNO5P
MOLECULAR WEIGHT: 298.027821
SMILES: C1=CC(=C(C=C1CON)OP(=O)(O)O)Br
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Product OPENEYE NAME: N'-benzyl-2,2-dimethyl-propanehydrazide
CAS Name: 2,2-dimethyl-N'-(phenylmethyl)propanehydrazide
IUPAC NAME: N'-benzyl-2,2-dimethylpropanehydrazide
SYSTEMATIC NAME: 2,2-dimethyl-N'-(phenylmethyl)propanehydrazide
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CC(C)(C)C(=O)NNCC1=CC=CC=C1
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Product OPENEYE NAME: 3-chloro-N-(2-phenylethyl)propanamide
CAS Name: 3-chloro-N-(2-phenylethyl)propanamide
IUPAC NAME: 3-chloro-N-(2-phenylethyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2-phenylethyl)propanamide
MOLECULAR FORMULA: C11H14ClNO
MOLECULAR WEIGHT: 211.68796
SMILES: C1=CC=C(C=C1)CCNC(=O)CCCl
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Product OPENEYE NAME: 4-(2-aminopropyl)phenol hydrobromide
CAS Name: 4-(2-aminopropyl)phenol hydrobromide
IUPAC NAME: 4-(2-aminopropyl)phenol hydrobromide
SYSTEMATIC NAME: 4-(2-azanylpropyl)phenol hydrobromide
MOLECULAR FORMULA: C9H14BrNO
MOLECULAR WEIGHT: 232.11756
SMILES: CC(CC1=CC=C(C=C1)O)N.Br
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Product OPENEYE NAME: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CAS Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
IUPAC NAME: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C1=CC(=CC=C1CC(C(=O)O)O)O
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Product OPENEYE NAME: 1,2-dimethylhydrazine dihydrochloride
CAS Name: 1,2-dimethylhydrazine dihydrochloride
IUPAC NAME: 1,2-dimethylhydrazine dihydrochloride
SYSTEMATIC NAME: 1,2-dimethyldiazane dihydrochloride
MOLECULAR FORMULA: C2H10Cl2N2
MOLECULAR WEIGHT: 133.0202
SMILES: CNNC.Cl.Cl
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Product OPENEYE NAME: ethyl-[2-[2-[ethyl(dimethyl)ammonio]ethyl-methyl-amino]ethyl]-dimethyl-ammonium dibromide
CAS Name: ethyl-[2-[2-[ethyl(dimethyl)ammonio]ethyl-methylamino]ethyl]-dimethylammonium dibromide
IUPAC NAME: ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl]-dimethylazanium dibromide
SYSTEMATIC NAME: ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methyl-amino]ethyl]-dimethyl-azanium dibromide
MOLECULAR FORMULA: C13H33Br2N3
MOLECULAR WEIGHT: 391.22922
SMILES: CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC.[Br-].[Br-]
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Product OPENEYE NAME: ethyl-[2-[2-[ethyl(dimethyl)ammonio]ethyl-methyl-amino]ethyl]-dimethyl-ammonium
CAS Name: ethyl-[2-[2-[ethyl(dimethyl)ammonio]ethyl-methylamino]ethyl]-dimethylammonium
IUPAC NAME: ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl]-dimethylazanium
SYSTEMATIC NAME: ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methyl-amino]ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C13H33N3+2
MOLECULAR WEIGHT: 231.42122
SMILES: CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC
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Product OPENEYE NAME: N,N'-bis(3-aminopropyl)butane-1,4-diamine tetrahydrochloride
CAS Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine tetrahydrochloride
IUPAC NAME: N,N'-bis(3-aminopropyl)butane-1,4-diamine tetrahydrochloride
SYSTEMATIC NAME: N,N'-bis(3-azanylpropyl)butane-1,4-diamine tetrahydrochloride
MOLECULAR FORMULA: C10H30Cl4N4
MOLECULAR WEIGHT: 348.184
SMILES: C(CCNCCCN)CNCCCN.Cl.Cl.Cl.Cl
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