Basic information
- CAS
736153-76-7- Standard SMILES
CCN1C[C@H]2CCC[C@@](CO)(C1)[C@@H]2OC- InChIKey
KNGHULBPWYHXLW-UTUOFQBUSA-N- Molecular formula
- C12H23NO2
- Average molar mass
- 213.32 g/mol
Names & identifiers
- Preferred name
- [(1S,5R,9R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
- IUPAC
- [(1S,5R,9R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
- English name
- 3-Azabicyclo[3.3.1]nonane-1-methanol,3-ethyl-9-methoxy-,(1R,5S,9S)-rel-(9CI)
- Molecular formula
- C12H23NO2
- Molecular weight
- 213.32
Names & synonyms
3-Azabicyclo[3.3.1]nonane-1-methanol,3-ethyl-9-methoxy-,(1R,5S,9S)-rel-(9CI)
Database identifiers
- CAS
736153-76-7
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 276.627 · 276.627±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.06 · 1.060±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.993 · 14.993±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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