Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 886050-51-7
CAS Name: 2-(trifluoromethoxy)ethanamine hydrochloride
OPENEYE Name: 2-(trifluoromethoxy)ethanamine hydrochloride
IUPAC Name: 2-(trifluoromethoxy)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(trifluoromethyloxy)ethanamine hydrochloride
MOLECULAR FORMULA: C3H7ClF3NO
MOLECULAR WEIGHT: 165.54199
SMILES: C(COC(F)(F)F)N.Cl

CAS RN: 473918-41-1
CAS Name: (1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine dihydrochloride
OPENEYE Name: (1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine dihydrochloride
IUPAC Name: (1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine dihydrochloride
SYSTEMATIC NAME: (1R,2R)-N1,N2-dimethylcyclohexane-1,2-diamine dihydrochloride
MOLECULAR FORMULA: C8H20Cl2N2
MOLECULAR WEIGHT: 215.1638
SMILES: CN[C@@H]1CCCC[C@H]1NC.Cl.Cl

CAS RN: 174886-04-5
CAS Name: 1,1,1-trifluoro-2-methyl-2-propanamine hydrochloride
OPENEYE Name: 1,1,1-trifluoro-2-methyl-propan-2-amine hydrochloride
IUPAC Name: 1,1,1-trifluoro-2-methylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-2-methyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C4H9ClF3N
MOLECULAR WEIGHT: 163.56917
SMILES: CC(C)(C(F)(F)F)N.Cl

CAS RN: 875664-38-3
CAS Name: 1-bromo-4,5-difluoro-2-methylbenzene
OPENEYE Name: 1-bromo-4,5-difluoro-2-methyl-benzene
IUPAC Name: 1-bromo-4,5-difluoro-2-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-4,5-bis(fluoranyl)-2-methyl-benzene
MOLECULAR FORMULA: C7H5BrF2
MOLECULAR WEIGHT: 207.015406
SMILES: CC1=CC(=C(C=C1Br)F)F

CAS RN: 80277-40-3
CAS Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetonitrile
OPENEYE Name: 4-(trifluoromethyl)benzoyl cyanide
IUPAC Name: 4-(trifluoromethyl)benzoyl cyanide
SYSTEMATIC NAME: 2-oxidanylidene-2-[4-(trifluoromethyl)phenyl]ethanenitrile
MOLECULAR FORMULA: C9H4F3NO
MOLECULAR WEIGHT: 199.12937
SMILES: C1=CC(=CC=C1C(=O)C#N)C(F)(F)F

CAS RN: 71449-08-6
CAS Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid hydrate
OPENEYE Name: (2R)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoic acid hydrate
IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid hydrate
SYSTEMATIC NAME: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid hydrate
MOLECULAR FORMULA: C16H23NO7
MOLECULAR WEIGHT: 341.35632
SMILES: CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.O

CAS RN: 496057-57-9
CAS Name: (4-hydroxy-1-piperidinyl)-(3-piperidinyl)methanone hydrochloride
OPENEYE Name: (4-hydroxy-1-piperidyl)-(3-piperidyl)methanone hydrochloride
IUPAC Name: (4-hydroxypiperidin-1-yl)-piperidin-3-ylmethanone hydrochloride
SYSTEMATIC NAME: (4-oxidanylpiperidin-1-yl)-piperidin-3-yl-methanone hydrochloride
MOLECULAR FORMULA: C11H21ClN2O2
MOLECULAR WEIGHT: 248.74964
SMILES: C1CC(CNC1)C(=O)N2CCC(CC2)O.Cl

CAS RN: 345954-49-6
CAS Name: 1-(2-amino-1-oxoethyl)-4-piperidinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1-(2-aminoacetyl)piperidine-4-carboxylate hydrochloride
IUPAC Name: ethyl 1-(2-aminoacetyl)piperidine-4-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1-(2-azanylethanoyl)piperidine-4-carboxylate hydrochloride
MOLECULAR FORMULA: C10H19ClN2O3
MOLECULAR WEIGHT: 250.72246
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN.Cl

CAS RN: 129540-21-2
CAS Name: 2-(2-chlorophenyl)pyrrolidine hydrochloride
OPENEYE Name: 2-(2-chlorophenyl)pyrrolidine hydrochloride
IUPAC Name: 2-(2-chlorophenyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 2-(2-chlorophenyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C10H13Cl2N
MOLECULAR WEIGHT: 218.12292
SMILES: C1CC(NC1)C2=CC=CC=C2Cl.Cl

CAS RN: 197015-81-9
CAS Name: 2-cyclopentylguanidine hydrochloride
OPENEYE Name: 2-cyclopentylguanidine hydrochloride
IUPAC Name: 2-cyclopentylguanidine hydrochloride
SYSTEMATIC NAME: 2-cyclopentylguanidine hydrochloride
MOLECULAR FORMULA: C6H14ClN3
MOLECULAR WEIGHT: 163.64846
SMILES: C1CCC(C1)N=C(N)N.Cl

CAS RN: 1208075-35-7
CAS Name: 2-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane; 2,2,2-trifluoroacetic acid
OPENEYE Name: 2-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane; 2,2,2-trifluoroacetic acid
IUPAC Name: 2-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 2-(cyclopropylmethyl)-2,5-diazabicyclo[2.2.1]heptane; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C13H18F6N2O4
MOLECULAR WEIGHT: 380.283439
SMILES: C1CC1CN2CC3CC2CN3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

CAS RN: 386715-38-4
CAS Name: 2-(4-quinolinyl)propanedial hydrate
OPENEYE Name: 2-(4-quinolyl)propanedial hydrate
IUPAC Name: 2-quinolin-4-ylpropanedial hydrate
SYSTEMATIC NAME: 2-quinolin-4-ylpropanedial hydrate
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(C=O)C=O.O

CAS RN: 730964-84-8
CAS Name: 4-(isocyanomethyl)-1-cyclohexanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(isocyanomethyl)cyclohexanecarboxylate
IUPAC Name: methyl 4-(isocyanomethyl)cyclohexane-1-carboxylate
SYSTEMATIC NAME: methyl 4-(isocyanomethyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC(=O)C1CCC(CC1)C[N+]#[C-]

CAS RN: 722491-43-2
CAS Name: 1-butan-2-yl-4-(2-chloroethyl)piperazine dihydrochloride
OPENEYE Name: 1-(2-chloroethyl)-4-sec-butyl-piperazine dihydrochloride
IUPAC Name: 1-butan-2-yl-4-(2-chloroethyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-butan-2-yl-4-(2-chloroethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C10H23Cl3N2
MOLECULAR WEIGHT: 277.66202
SMILES: CCC(C)N1CCN(CC1)CCCl.Cl.Cl

CAS RN: 28457-23-0
CAS Name: 4-(2-hydroxyethyl)-1-piperazinecarboximidamide; sulfuric acid
OPENEYE Name: 4-(2-hydroxyethyl)piperazine-1-carboxamidine; sulfuric acid
IUPAC Name: 4-(2-hydroxyethyl)piperazine-1-carboximidamide; sulfuric acid
SYSTEMATIC NAME: 4-(2-hydroxyethyl)piperazine-1-carboximidamide; sulfuric acid
MOLECULAR FORMULA: C14H34N8O6S
MOLECULAR WEIGHT: 442.53476
SMILES: C1CN(CCN1CCO)C(=N)N.C1CN(CCN1CCO)C(=N)N.OS(=O)(=O)O

CAS RN: 45798-01-4
CAS Name: 4-methyl-1-piperazinecarboximidamide; sulfuric acid
OPENEYE Name: 4-methylpiperazine-1-carboxamidine; sulfuric acid
IUPAC Name: 4-methylpiperazine-1-carboximidamide; sulfuric acid
SYSTEMATIC NAME: 4-methylpiperazine-1-carboximidamide; sulfuric acid
MOLECULAR FORMULA: C12H30N8O4S
MOLECULAR WEIGHT: 382.4828
SMILES: CN1CCN(CC1)C(=N)N.CN1CCN(CC1)C(=N)N.OS(=O)(=O)O

CAS RN: 361979-30-8
CAS Name: 2-amino-1-[4-(phenylmethyl)-1-piperazinyl]ethanone dihydrochloride
OPENEYE Name: 2-amino-1-(4-benzylpiperazin-1-yl)ethanone dihydrochloride
IUPAC Name: 2-amino-1-(4-benzylpiperazin-1-yl)ethanone dihydrochloride
SYSTEMATIC NAME: 2-azanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone dihydrochloride
MOLECULAR FORMULA: C13H21Cl2N3O
MOLECULAR WEIGHT: 306.23134
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)CN.Cl.Cl

CAS RN: 705944-29-2
CAS Name: 2-amino-1-(4-prop-2-enyl-1-piperazinyl)ethanone dihydrochloride
OPENEYE Name: 1-(4-allylpiperazin-1-yl)-2-amino-ethanone dihydrochloride
IUPAC Name: 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone dihydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone dihydrochloride
MOLECULAR FORMULA: C9H19Cl2N3O
MOLECULAR WEIGHT: 256.17266
SMILES: C=CCN1CCN(CC1)C(=O)CN.Cl.Cl

CAS RN: 185547-14-2
CAS Name: 2-chloro-1-(4-propan-2-yl-1-piperazinyl)ethanone hydrochloride
OPENEYE Name: 2-chloro-1-(4-isopropylpiperazin-1-yl)ethanone hydrochloride
IUPAC Name: 2-chloro-1-(4-propan-2-ylpiperazin-1-yl)ethanone hydrochloride
SYSTEMATIC NAME: 2-chloranyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone hydrochloride
MOLECULAR FORMULA: C9H18Cl2N2O
MOLECULAR WEIGHT: 241.15802
SMILES: CC(C)N1CCN(CC1)C(=O)CCl.Cl

CAS RN: 55661-33-1
CAS Name: 2-thiazolylmethanamine dihydrochloride
OPENEYE Name: thiazol-2-ylmethanamine dihydrochloride
IUPAC Name: 1,3-thiazol-2-ylmethanamine dihydrochloride
SYSTEMATIC NAME: 1,3-thiazol-2-ylmethanamine dihydrochloride
MOLECULAR FORMULA: C4H8Cl2N2S
MOLECULAR WEIGHT: 187.09072
SMILES: C1=CSC(=N1)CN.Cl.Cl

CAS RN: 244022-69-3
CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane hydrochloride
OPENEYE Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-1,4-diazepane hydrochloride
IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane hydrochloride
SYSTEMATIC NAME: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,4-diazepane hydrochloride
MOLECULAR FORMULA: C12H17Cl2FN2
MOLECULAR WEIGHT: 279.181183
SMILES: C1CNCCN(C1)CC2=C(C=CC=C2Cl)F.Cl

CAS RN: 96949-46-1
CAS Name: 2,4-dichloro-5-iodo-6-methylpyrimidine
OPENEYE Name: 2,4-dichloro-5-iodo-6-methyl-pyrimidine
IUPAC Name: 2,4-dichloro-5-iodo-6-methylpyrimidine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-5-iodanyl-6-methyl-pyrimidine
MOLECULAR FORMULA: C5H3Cl2IN2
MOLECULAR WEIGHT: 288.90119
SMILES: CC1=C(C(=NC(=N1)Cl)Cl)I

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