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Tramadol EP Impurity C HCl

CAT: 1596-AR-T02738-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02738-01Size:250 Units
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CAS Number
66170-31-8
Synonyms
1- (3'-Methoxy-2,3,4,5-tetrahydro-[1,1'-biphenyl]-2-yl) -N, N-dimethylmethanamine Hydrochloride
Molecular Formula
C16H23NO. HCl
Molecular Weight
245.37; 36.46
API Name
Tramadol

Chemical Information

1,6-Dehydro tramadol hydrochloride
CAS Number66170-31-8
PubChem CID129318264
IUPAC Name1-[2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine;hydrochloride
Molecular FormulaC16H24ClNO
Molecular Weight281.82
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity285
SMILES
CN(C)CC1CCCC=C1C2=CC(=CC=C2)OC.Cl
InChI
InChI=1S/C16H23NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-11,14H,4-5,7,12H2,1-3H3;1H
InChIKey
KTYGAWYKBWMJNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Dehydro tramadol hydrochloride
CAS: 66170-31-8
CID: 129318264
Formula: C16H24ClNO
MW: 281.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass281.1546421
Monoisotopic Mass281.1546421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes