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Dextromethorphan Impurity 5

CAT: 1596-AR-D06868-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06868-04Size:100 Units
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CAS Number
30356-08-2
Synonyms
(R) -1- (4-Methoxybenzyl) -1,2,3,4,5,6,7,8-octahydroisoquinoline
Molecular Formula
C17H23NO
Molecular Weight
257.38
API Name
Dextromethorphan

Chemical Information

(1R)-1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
CAS Number30356-08-2
PubChem CID10125304
IUPAC Name(1R)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
Molecular FormulaC17H23NO
Molecular Weight257.37
XLogP2.9
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity328
SMILES
COC1=CC=C(C=C1)C[C@@H]2C3=C(CCCC3)CCN2
InChI
InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3/t17-/m1/s1
InChIKey
NPEVCJZMQGZNET-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
CAS: 30356-08-2
CID: 10125304
Formula: C17H23NO
MW: 257.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight257.37
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass257.177964357
Monoisotopic Mass257.177964357
Topological Polar Surface Area21.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes