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Venlafaxine EP Impurity A

CAT: 1596-AR-V01919-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01919-01Size:25 Units
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CAS Number
775-33-7
Synonyms
Descyclohexanol venlafaxine; 2- (4-methoxyphenyl) -N, N-dimethylethanamine; Des (1-cyclohexanol) Venlafaxine; Descyclohexanol venlafaxine; [2- (4-methoxyphenyl) ethyl]dimethylamine; Benzeneethanamine,4-methoxy-N, N-dimethyl-; Des (1-cyclohexanol) Venlafaxine; N, N-Dimethyl-4-methoxyphenylethylamine; p-methoxy-N, N-dimethylphenethylamine;2- (4-methoxyphenyl) -N, N-dimethylethanamine; N, N-Dimethyl-4-methoxyphenethylamine; N, N-Dimethyl-p-methoxyphenylthylamine
Molecular Formula
C11H17NO
Molecular Weight
179.26
API Name
Venlafaxine

Chemical Information

N,N-Dimethyl-4-methoxyphenylethylamine

tyramine metabolite showing hypotensive action in rats; RN given refers to parent cpd

CAS Number775-33-7
PubChem CID150850
IUPAC Name2-(4-methoxyphenyl)-N,N-dimethylethanamine
Molecular FormulaC11H17NO
Molecular Weight179.26
XLogP2.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity128
SMILES
CN(C)CCC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H17NO/c1-12(2)9-8-10-4-6-11(13-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
BGSZBHCYLIHECZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-4-methoxyphenylethylamine
CAS: 775-33-7
CID: 150850
Formula: C11H17NO
MW: 179.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.26
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass179.131014166
Monoisotopic Mass179.131014166
Topological Polar Surface Area12.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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