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Deoxy Venlafaxine

CAT: 0572-TRC-D288300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288300-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1076199-92-2
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.COc1ccc(cc1)C(CN(C)C)C2CCCCC2
Molecular Formula
C17H27NO
Molecular Weight
261.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethylamine
CAS Number1076199-92-2
PubChem CID15345869
IUPAC Name2-cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethanamine
Molecular FormulaC17H27NO
Molecular Weight261.4
XLogP4.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity240
SMILES
CN(C)CC(C1CCCCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H27NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3
InChIKey
RELISZWQPGCXDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethylamine
CAS: 1076199-92-2
CID: 15345869
Formula: C17H27NO
MW: 261.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass261.209264485
Monoisotopic Mass261.209264485
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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