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1,6-Dehydro Tramadol

CAT: 0572-TRC-D230385-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230385-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192384-41-1
Synonyms
2-(3-Methoxyphenyl)-N,N-dimethyl-2-cyclohexene-1-methanamine; Tramadol Impurity C,
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1cccc(c1)C2=CCCCC2CN(C)C
Molecular Formula
C16H23NO
Molecular Weight
245.36
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,6-Dehydro tramadol
CAS Number192384-41-1
PubChem CID22908336
IUPAC Name1-[2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
Molecular FormulaC16H23NO
Molecular Weight245.36
XLogP3.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity285
SMILES
CN(C)CC1CCCC=C1C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO/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
InChIKey
NLNQAKPOVVMNEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Dehydro tramadol
CAS: 192384-41-1
CID: 22908336
Formula: C16H23NO
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass245.177964357
Monoisotopic Mass245.177964357
Topological Polar Surface Area12.5 Ų
Heavy Atom Count18
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

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