CAS RN: 63009-16-5
CAS Name: 2-ethylbutane-1,4-diamine
OPENEYE Name: 2-ethylbutane-1,4-diamine
IUPAC Name: 2-ethylbutane-1,4-diamine
SYSTEMATIC NAME: 2-ethylbutane-1,4-diamine
MOLECULAR FORMULA: C6H16N2
MOLECULAR WEIGHT: 116.20464
SMILES: CCC(CCN)CN
Structure:
CAS RN: 63004-24-0
CAS Name: N-(2-bromoethyl)-2-nitrobenzamide
OPENEYE Name: N-(2-bromoethyl)-2-nitro-benzamide
IUPAC Name: N-(2-bromoethyl)-2-nitrobenzamide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-nitro-benzamide
MOLECULAR FORMULA: C9H9BrN2O3
MOLECULAR WEIGHT: 273.08336
SMILES: C1=CC=C(C(=C1)C(=O)NCCBr)[N+](=O)[O-]
Structure:
CAS RN: 62967-70-8
CAS Name: 1-(4,4-diethoxybutyl)-2-piperidinone
OPENEYE Name: 1-(4,4-diethoxybutyl)piperidin-2-one
IUPAC Name: 1-(4,4-diethoxybutyl)piperidin-2-one
SYSTEMATIC NAME: 1-(4,4-diethoxybutyl)piperidin-2-one
MOLECULAR FORMULA: C13H25NO3
MOLECULAR WEIGHT: 243.3425
SMILES: CCOC(CCCN1CCCCC1=O)OCC
Structure:
CAS RN: 62967-01-5
CAS Name: 2-[2,3-dichloro-4-[(4-chlorophenyl)-oxomethyl]phenoxy]acetic acid
OPENEYE Name: 2-[2,3-dichloro-4-(4-chlorobenzoyl)phenoxy]acetic acid
IUPAC Name: 2-[2,3-dichloro-4-(4-chlorobenzoyl)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2,3-bis(chloranyl)-4-(4-chlorophenyl)carbonyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H9Cl3O4
MOLECULAR WEIGHT: 359.58856
SMILES: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl)Cl
Structure:
CAS RN: 62936-29-2
CAS Name: N-methyl-N-(8-quinolinylmethyl)-2-propyn-1-amine
OPENEYE Name: N-methyl-N-(8-quinolylmethyl)prop-2-yn-1-amine
IUPAC Name: N-methyl-N-(quinolin-8-ylmethyl)prop-2-yn-1-amine
SYSTEMATIC NAME: N-methyl-N-(quinolin-8-ylmethyl)prop-2-yn-1-amine
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: CN(CC#C)CC1=CC=CC2=C1N=CC=C2
Structure:
CAS RN: 62933-31-7
CAS Name: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidinone
OPENEYE Name: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one
IUPAC Name: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one
SYSTEMATIC NAME: 1-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]piperidin-2-one
MOLECULAR FORMULA: C15H17FN2O
MOLECULAR WEIGHT: 260.306683
SMILES: C1CCN(C(=O)C1)CCC2=CNC3=C2C=C(C=C3)F
Structure:
CAS RN: 62882-00-2
CAS Name: 8-methylisoquinoline
OPENEYE Name: 8-methylisoquinoline
IUPAC Name: 8-methylisoquinoline
SYSTEMATIC NAME: 8-methylisoquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC=CC2=C1C=NC=C2
Structure:
CAS RN: 62875-07-4
CAS Name: 2-methylbutane-1,2,4-triol
OPENEYE Name: 2-methylbutane-1,2,4-triol
IUPAC Name: 2-methylbutane-1,2,4-triol
SYSTEMATIC NAME: 2-methylbutane-1,2,4-triol
MOLECULAR FORMULA: C5H12O3
MOLECULAR WEIGHT: 120.14698
SMILES: CC(CCO)(CO)O
Structure:
CAS RN: 62858-83-7
CAS Name: 2-propan-2-ylbenzene-1,3-diol
OPENEYE Name: 2-isopropylbenzene-1,3-diol
IUPAC Name: 2-propan-2-ylbenzene-1,3-diol
SYSTEMATIC NAME: 2-propan-2-ylbenzene-1,3-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CC(C)C1=C(C=CC=C1O)O
Structure:
CAS RN: 62819-95-8
CAS Name: 1-(2-methoxyethoxy)-2-nitrobenzene
OPENEYE Name: 1-(2-methoxyethoxy)-2-nitro-benzene
IUPAC Name: 1-(2-methoxyethoxy)-2-nitrobenzene
SYSTEMATIC NAME: 1-(2-methoxyethoxy)-2-nitro-benzene
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: COCCOC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 62787-29-5
CAS Name: N'-(3-aminopropyl)-N'-[2-(dimethylamino)ethyl]propane-1,3-diamine
OPENEYE Name: N'-(3-aminopropyl)-N'-[2-(dimethylamino)ethyl]propane-1,3-diamine
IUPAC Name: N'-(3-aminopropyl)-N'-[2-(dimethylamino)ethyl]propane-1,3-diamine
SYSTEMATIC NAME: N'-(3-azanylpropyl)-N'-[2-(dimethylamino)ethyl]propane-1,3-diamine
MOLECULAR FORMULA: C10H26N4
MOLECULAR WEIGHT: 202.34024
SMILES: CN(C)CCN(CCCN)CCCN
Structure:
CAS RN: 62780-84-1
CAS Name: 1-(3-chloropropyl)-3-(1-methylethenyl)-2-benzimidazolone
OPENEYE Name: 1-(3-chloropropyl)-3-isopropenyl-benzimidazol-2-one
IUPAC Name: 1-(3-chloropropyl)-3-prop-1-en-2-ylbenzimidazol-2-one
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-3-prop-1-en-2-yl-benzimidazol-2-one
MOLECULAR FORMULA: C13H15ClN2O
MOLECULAR WEIGHT: 250.724
SMILES: CC(=C)N1C2=CC=CC=C2N(C1=O)CCCCl
Structure:
CAS RN: 62780-76-1
CAS Name: 6-chloro-3-(3-hydroxypropyl)-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-(3-hydroxypropyl)-1H-benzimidazol-2-one
IUPAC Name: 6-chloro-3-(3-hydroxypropyl)-1H-benzimidazol-2-one
SYSTEMATIC NAME: 6-chloranyl-3-(3-oxidanylpropyl)-1H-benzimidazol-2-one
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1=CC2=C(C=C1Cl)NC(=O)N2CCCO
Structure:
CAS RN: 62780-73-8
CAS Name: 3-(2-amino-4-chloroanilino)-1-propanol
OPENEYE Name: 3-(2-amino-4-chloro-anilino)propan-1-ol
IUPAC Name: 3-(2-amino-4-chloroanilino)propan-1-ol
SYSTEMATIC NAME: 3-[(2-azanyl-4-chloranyl-phenyl)amino]propan-1-ol
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: C1=CC(=C(C=C1Cl)N)NCCCO
Structure:
CAS RN: 62755-61-7
CAS Name: 1-(4-phenoxyphenyl)piperazine
OPENEYE Name: 1-(4-phenoxyphenyl)piperazine
IUPAC Name: 1-(4-phenoxyphenyl)piperazine
SYSTEMATIC NAME: 1-(4-phenoxyphenyl)piperazine
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: C1CN(CCN1)C2=CC=C(C=C2)OC3=CC=CC=C3
Structure:
CAS RN: 62724-16-7
CAS Name: carbonic acid 2-ethylhexyl isocyanato ester
OPENEYE Name: 2-ethylhexyl isocyanato carbonate
IUPAC Name: 2-ethylhexyl isocyanato carbonate
SYSTEMATIC NAME: 2-ethylhexyl isocyanato carbonate
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: CCCCC(CC)COC(=O)ON=C=O
Structure:
CAS RN: 62702-36-7
CAS Name: 1,3-bis(2-hydroxyethoxy)-2-propanol
OPENEYE Name: 1,3-bis(2-hydroxyethoxy)propan-2-ol
IUPAC Name: 1,3-bis(2-hydroxyethoxy)propan-2-ol
SYSTEMATIC NAME: 1,3-bis(2-hydroxyethyloxy)propan-2-ol
MOLECULAR FORMULA: C7H16O5
MOLECULAR WEIGHT: 180.19894
SMILES: C(COCC(COCCO)O)O
Structure:
CAS RN: 62680-74-4
CAS Name: 4-[but-3-enoxy(oxo)methyl]benzoic acid
OPENEYE Name: 4-but-3-enoxycarbonylbenzoic acid
IUPAC Name: 4-but-3-enoxycarbonylbenzoic acid
SYSTEMATIC NAME: 4-but-3-enoxycarbonylbenzoic acid
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CCCOC(=O)C1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 62604-71-1
CAS Name: hexadecanoic acid 1-hydroxyhexadecan-2-yl ester
OPENEYE Name: 1-(hydroxymethyl)pentadecyl hexadecanoate
IUPAC Name: 1-hydroxyhexadecan-2-yl hexadecanoate
SYSTEMATIC NAME: 1-oxidanylhexadecan-2-yl hexadecanoate
MOLECULAR FORMULA: C32H64O3
MOLECULAR WEIGHT: 496.84876
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)CO
Structure:
CAS RN: 62595-81-7
CAS Name: 2-hydrazinylaniline dihydrochloride
OPENEYE Name: 2-hydrazinoaniline dihydrochloride
IUPAC Name: 2-hydrazinylaniline dihydrochloride
SYSTEMATIC NAME: 2-diazanylaniline dihydrochloride
MOLECULAR FORMULA: C6H11Cl2N3
MOLECULAR WEIGHT: 196.07764
SMILES: C1=CC=C(C(=C1)N)NN.Cl.Cl
Structure:
CAS RN: 62470-85-3
CAS Name: 2-(diethylamino)ethyl-dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium chloride hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium chloride hydrochloride
IUPAC Name: 2-(diethylamino)ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride hydrochloride
MOLECULAR FORMULA: C14H30Cl2N2O2
MOLECULAR WEIGHT: 329.3062
SMILES: CCN(CC)CC[N+](C)(C)CCOC(=O)C(=C)C.Cl.[Cl-]
Structure:
CAS RN: 62456-13-7
CAS Name: 5-(chloromethyl)-1,2-dihydroacenaphthylene
OPENEYE Name: 5-(chloromethyl)-1,2-dihydroacenaphthylene
IUPAC Name: 5-(chloromethyl)-1,2-dihydroacenaphthylene
SYSTEMATIC NAME: 5-(chloromethyl)-1,2-dihydroacenaphthylene
MOLECULAR FORMULA: C13H11Cl
MOLECULAR WEIGHT: 202.67944
SMILES: C1CC2=CC=CC3=C(C=CC1=C23)CCl
Structure:
CAS RN: 62386-32-7
CAS Name: 3-methyl-4-pentyne-2,3-diol
OPENEYE Name: 3-methylpent-4-yne-2,3-diol
IUPAC Name: 3-methylpent-4-yne-2,3-diol
SYSTEMATIC NAME: 3-methylpent-4-yne-2,3-diol
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC(C(C)(C#C)O)O
Structure:
CAS RN: 62334-13-8
CAS Name: 6-methoxy-4-methyl-2,3,4,9-tetrahydrocarbazol-1-one
OPENEYE Name: 6-methoxy-4-methyl-2,3,4,9-tetrahydrocarbazol-1-one
IUPAC Name: 6-methoxy-4-methyl-2,3,4,9-tetrahydrocarbazol-1-one
SYSTEMATIC NAME: 6-methoxy-4-methyl-2,3,4,9-tetrahydrocarbazol-1-one
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1CCC(=O)C2=C1C3=C(N2)C=CC(=C3)OC
Structure:
CAS RN: 62333-39-5
CAS Name: 1-acetamidoheptane-1,1,7-tricarboxylic acid triethyl ester
OPENEYE Name: triethyl 1-acetamidoheptane-1,1,7-tricarboxylate
IUPAC Name: triethyl 1-acetamidoheptane-1,1,7-tricarboxylate
SYSTEMATIC NAME: triethyl 1-acetamidoheptane-1,1,7-tricarboxylate
MOLECULAR FORMULA: C18H31NO7
MOLECULAR WEIGHT: 373.44124
SMILES: CCOC(=O)CCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C
Structure:
CAS RN: 62304-85-2
CAS Name: hexadecanoic acid 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
OPENEYE Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hexadecanoate
IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hexadecanoate
SYSTEMATIC NAME: 2-[2-(2-hydroxyethyloxy)ethoxy]ethyl hexadecanoate
MOLECULAR FORMULA: C22H44O5
MOLECULAR WEIGHT: 388.58176
SMILES: CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO
Structure:
CAS RN: 62266-63-1
CAS Name: 6-methyl-1-cyclohex-3-enecarboxylic acid methyl ester
OPENEYE Name: methyl 6-methylcyclohex-3-ene-1-carboxylate
IUPAC Name: methyl 6-methylcyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: methyl 6-methylcyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC1CC=CCC1C(=O)OC
Structure:
CAS RN: 62265-67-2
CAS Name: 2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
OPENEYE Name: 2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
IUPAC Name: 2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 2,2-bis(chloranyl)-1-(6-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C11H11Cl2NO2
MOLECULAR WEIGHT: 260.11654
SMILES: C1CC2=C(C=CC(=C2)O)N(C1)C(=O)C(Cl)Cl
Structure:
CAS RN: 62245-58-3
CAS Name: N-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinecarboxamide
OPENEYE Name: N-(3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carboxamide
IUPAC Name: N-(3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carboxamide
SYSTEMATIC NAME: N-(3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carboxamide
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: C1CN(CC=C1)NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 62207-11-8
CAS Name: tetrakis-decylammonium perchlorate
OPENEYE Name: tetrakis-decylammonium perchlorate
IUPAC Name: tetrakis-decylazanium perchlorate
SYSTEMATIC NAME: tetrakis-decylazanium perchlorate
MOLECULAR FORMULA: C40H84ClNO4
MOLECULAR WEIGHT: 678.55226
SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 62184-82-1
CAS Name: 1,3-dimethylcyclopentene
OPENEYE Name: 1,3-dimethylcyclopentene
IUPAC Name: 1,3-dimethylcyclopentene
SYSTEMATIC NAME: 1,3-dimethylcyclopentene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC1CCC(=C1)C
Structure:
CAS RN: 62151-56-8
CAS Name: 3-methyl-1-cyclopentadecanol
OPENEYE Name: 3-methylcyclopentadecanol
IUPAC Name: 3-methylcyclopentadecan-1-ol
SYSTEMATIC NAME: 3-methylcyclopentadecan-1-ol
MOLECULAR FORMULA: C16H32O
MOLECULAR WEIGHT: 240.42468
SMILES: CC1CCCCCCCCCCCCC(C1)O
Structure:
CAS RN: 62143-25-3
CAS Name: N,N-dimethyl-4-[(5-nitro-2-thiazolyl)azo]aniline
OPENEYE Name: N,N-dimethyl-4-(5-nitrothiazol-2-yl)azo-aniline
IUPAC Name: N,N-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
MOLECULAR FORMULA: C11H11N5O2S
MOLECULAR WEIGHT: 277.30234
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 62120-45-0
CAS Name: tetradodecylammonium perchlorate
OPENEYE Name: tetradodecylammonium perchlorate
IUPAC Name: tetradodecylazanium perchlorate
SYSTEMATIC NAME: tetradodecylazanium perchlorate
MOLECULAR FORMULA: C48H100ClNO4
MOLECULAR WEIGHT: 790.7649
SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 62105-07-1
CAS Name: N-[[1-(2-hydroxyethyl)-2-pyrrolidinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
OPENEYE Name: N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide
IUPAC Name: N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
SYSTEMATIC NAME: N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C15H23N3O5S
MOLECULAR WEIGHT: 357.42522
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC2CCCN2CCO
Structure:
CAS RN: 62077-89-8
CAS Name: dodecyl-dimethyl-(3-triethoxysilylpropyl)ammonium chloride
OPENEYE Name: dodecyl-dimethyl-(3-triethoxysilylpropyl)ammonium chloride
IUPAC Name: dodecyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride
SYSTEMATIC NAME: dodecyl-dimethyl-(3-triethoxysilylpropyl)azanium chloride
MOLECULAR FORMULA: C23H52ClNO3Si
MOLECULAR WEIGHT: 454.20238
SMILES: CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC.[Cl-]
Structure:
CAS RN: 62062-85-5
CAS Name: 6-butyl-4,6-dimethyl-2,3-dihydropyran
OPENEYE Name: 6-butyl-4,6-dimethyl-2,3-dihydropyran
IUPAC Name: 6-butyl-4,6-dimethyl-2,3-dihydropyran
SYSTEMATIC NAME: 6-butyl-4,6-dimethyl-2,3-dihydropyran
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCCCC1(C=C(CCO1)C)C
Structure:
CAS RN: 62056-46-6
CAS Name: 1-tert-butyl-4-chlorocyclohexane
OPENEYE Name: 1-tert-butyl-4-chloro-cyclohexane
IUPAC Name: 1-tert-butyl-4-chlorocyclohexane
SYSTEMATIC NAME: 1-tert-butyl-4-chloranyl-cyclohexane
MOLECULAR FORMULA: C10H19Cl
MOLECULAR WEIGHT: 174.71086
SMILES: CC(C)(C)C1CCC(CC1)Cl
Structure:
CAS RN: 62049-65-4
CAS Name: 1-(1-chloroethyl)-4-(2-methylpropyl)benzene
OPENEYE Name: 1-(1-chloroethyl)-4-isobutyl-benzene
IUPAC Name: 1-(1-chloroethyl)-4-(2-methylpropyl)benzene
SYSTEMATIC NAME: 1-(1-chloroethyl)-4-(2-methylpropyl)benzene
MOLECULAR FORMULA: C12H17Cl
MOLECULAR WEIGHT: 196.71638
SMILES: CC(C)CC1=CC=C(C=C1)C(C)Cl
Structure:
CAS RN: 62037-81-4
CAS Name: 2-methyl-2-propenoic acid 2-(1-imidazolyl)ethyl ester
OPENEYE Name: 2-imidazol-1-ylethyl 2-methylprop-2-enoate
IUPAC Name: 2-imidazol-1-ylethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-imidazol-1-ylethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CC(=C)C(=O)OCCN1C=CN=C1
Structure:
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