Morphinan-3-ol, 17-(p-dimethylamino)phenethyl-, (-)-
Basic information
- CAS
63732-69-4- Standard SMILES
CN(C)c1ccc(CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1- InChIKey
YAIARBNHRVQQRT-SKBVVQJISA-N- Molecular formula
- C26H34N2O
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.26711371
Names & identifiers
- Preferred name
- Morphinan-3-ol, 17-(p-dimethylamino)phenethyl-, (-)-
- IUPAC
- (1R,9R,10R)-17-[2-[4-(dimethylamino)phenyl]ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
- English name
- (-)-17-(p-Dimethylaminophenethyl)morphinan-3-ol
- Molecular formula
- C26H34N2O
- Molecular weight
- 390.56
Names & synonyms
BRN 0052087(-)-17-(p-Dimethylamino)phenethylmorphinan-3-ol63732-69-4Morphinan-3-ol, 17-(p-dimethylamino)phenethyl-, (-)-4-21-00-01381 (Beilstein Handbook Reference)RefChem:357436DTXSID1098022817-{2-[4-(Dimethylamino)phenyl]ethyl}morphinan-3-ol(-)-17-(p-Dimethylaminophenethyl)morphinan-3-olMorphinan-3-ol, 17-[2-[4-(dimethylamino)phenyl]ethyl]- (9CI)
Database identifiers
- CAS
63732-69-4- PubChem CID
- 5486095
- DTXSID
DTXSID10980228- Nikkaji
- J70.109B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 562.7 · 562.7±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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