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Venlafaxine Impurity 46

CAT: 1299-RM-V140946-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V140946-01Size:10 mg
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CAS Number
1997279-63-6
Synonyms
2-cyclohexylidene-2- (4-methoxyphenyl) -N, N-dimethylethan-1-amine
Molecular Formula
C17H25NO
Molecular Weight
259.39
Target Alternative Name
Venlafaxine
Product Name Synonym
2-cyclohexylidene-2- (4-methoxyphenyl) -N, N-dimethylethan-1-amine

Chemical Information

Venlafaxine Impurity 46
CAS Number1997279-63-6
PubChem CID176479509
IUPAC Name2-cyclohexylidene-2-(4-methoxyphenyl)-N,N-dimethylethanamine
Molecular FormulaC17H25NO
Molecular Weight259.4
XLogP4.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity292
SMILES
CN(C)CC(=C1CCCCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h9-12H,4-8,13H2,1-3H3
InChIKey
OBCNVXOYCIXIMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venlafaxine Impurity 46
CAS: 1997279-63-6
CID: 176479509
Formula: C17H25NO
MW: 259.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass259.193614421
Monoisotopic Mass259.193614421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity292
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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