N-Cyclopropylmethyl-4-hydroxy-14-methoxymorphinan
Basic information
- CAS
134161-40-3- Standard SMILES
CO[C@@]12CCCC[C@@]13CCN(CC1CC1)[C@@H]2Cc1cccc(O)c13- InChIKey
STAMLOCWLDFONM-HLAWJBBLSA-N- Molecular formula
- C21H29NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.21982917
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Cyclopropylmethyl-4-hydroxy-14-methoxymorphinan
- IUPAC
- (1S,9R,10S)-17-(cyclopropylmethyl)-10-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
- English name
- N-cyclopropylmethyl-4-hydroxy-14-methoxymorphinan
- Molecular formula
- C21H29NO2
- Molecular weight
- 327.46
Names & synonyms
Cpmhmm134161-40-3N-Cyclopropylmethyl-4-hydroxy-14-methoxymorphinanRefChem:163177DTXSID9092848117-(Cyclopropylmethyl)-14-methoxymorphinan-4-olMorphinan-4-ol, 17-(cyclopropylmethyl)-14-methoxy-Morphinan-4-ol, 17-(cyclopropylmethyl)-14-methoxy- (9CI)
Database identifiers
- CAS
134161-40-3- PubChem CID
- 5486977
- DTXSID
DTXSID90928481- Nikkaji
- J390.691D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 461.8 · 461.8±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.40(Predicted)
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Compound notes
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