Norpropoxyphene carbinol
Basic information
- CAS
42576-08-9- Standard SMILES
CNC[C@@H](C)[C@@](O)(Cc1ccccc1)c1ccccc1- InChIKey
AONRUTIUKXIKAZ-QAPCUYQASA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Overview
structure in first source; RN given refers to (S-(R*,S*))-isomer
Names & identifiers
- Preferred name
- Norpropoxyphene carbinol
- IUPAC
- (2S,3R)-3-methyl-4-(methylamino)-1,2-diphenylbutan-2-ol
- English name
- norpropoxyphene carbinol
- Molecular formula
- C18H23NO
- Molecular weight
- 269.38
Names & synonyms
Norpropoxyphene carbinol42576-08-9RefChem:1666763-methyl-4-(methylamino)-1,2-diphenylbutan-2-olDTXSID00962573(2S,3R)-3-methyl-4-(methylamino)-1,2-diphenylbutan-2-olBenzeneethanol, alpha-(1-methyl-2-(methylamino)ethyl)-alpha-phenyl-, (S-(R*,S*))-DesMethylpropoxyphene CarbinolBenzeneethanol, α-[1-methyl-2-(methylamino)ethyl]-α-phenyl-, [S-(R*,S*)]- (9CI)
Database identifiers
- CAS
42576-08-9- PubChem CID
- 170672
- DTXSID
DTXSID00962573
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 420 · 420.0±45.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 14.12 · 14.12±0.29(Predicted)
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Related reactions
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Compound notes
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