AG00C94P

34245-14-2 | 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile

AG00C94P

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CAS Number	34245-14-2
Catalog Number	AG00C94P(AGN-PC-00MYX8)
Chemical Name	2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile
EC Number	251-895-1
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile
InChI	InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3
InChI Key	WLOBUUJURNEQCL-UHFFFAOYSA-N
MDL Number	MFCD09834379
Molecular Formula	C17H26N2O2
Molecular Weight	290.4005
SMILES	CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
Synonyms	1-isopropyl-1-N-methylpropylamino-(3,4-dimethoxyphenyl)acetonitrile, 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile, 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile hydrochloride, D 617, D-617, 34245-14-2, rac D 617 (Verapamil Metabolite), CHEMBL1743342, CHEBI:83528, WLOBUUJURNEQCL-UHFFFAOYSA-N, 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile, D617, 2-(3,4-dimethoxyphenyl)-5-methylamino-2-isopropylvaleronitrile, 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile, D-617, 3-(3,4-Dimethoxyphenyl)-2-methyl-6-methylaminohexane-3-carbonitrile, n-methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine, 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile, 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-(propan-2-yl)pentanenitrile, 3,4-Dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)benzeneacetonitrile, Benzeneacetonitrile,3,4-dimethoxy-a-[3-(methylamino)propyl]-a-(1-methylethyl)-, RAC D 617 (N-METHYL-4-(3,4-DIMETHOXYPHENYL)-4-CYANO-5-METHYLHEXYLAMINE), EINECS 251-895-1, Verapamil Impurity F, AC1L3PN7, AC1Q4QM7, Verapamil metabolite D-617, SCHEMBL6387741, CTK4H1987, BDBM50418097, AKOS030255337, FT-0665436, A822789, J-019519, 4-cyano-4-(3,4-dimethoxyphenyl)-5,N-dimethyl-hexylamine, 5-Methylamino-2-(3,4-dimethoxyphenyl-2-isopropylvaleronitrile, 1-Isopropyl-1-N-methylpropylamino-(3,4-dimethoxyphenyl)acetonitrile, 2-(3',4'-dimethoxyphenyl)-2-isopropyl-5-methylamino pentanenitrile, 2-(3',4'-dimethoxyphenyl)-2-isopropyl-5-methylaminopentanenitrile, 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)valeronitrile, 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile #, 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-yl-pentanenitrile, 3,4-Dimethoxy-|A-[3-(methylamino)propyl]-|A-(1-methylethyl)benzeneacetonitrile, Benzeneacetonitrile, 3,4-dimethoxy-.alpha.-[3-(methylamino)propyl]-.alpha.-(1-methylethyl)-, m-Ethylbenzaldehyde, UNII-L49D7PR96D, Verapamil metabolite D-617, L49D7PR96D, C17H26N2O2, CID93168, AR-1C7118, C17-H26-N2-O2, D 617, 3542-36-7,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.199g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.407g/mol
Monoisotopic Mass	290.199g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	54.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number