(1S,5S,6S)-N,7,7-trimethyl-N-phenyl-3-azabicyclo[3.2.0]heptan-6-amine
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Basic information
- CAS
787490-88-4- Standard SMILES
CN(c1ccccc1)[C@H]1[C@@H]2CNC[C@@H]2C1(C)C- InChIKey
UHSFDJHSVKPHRQ-RDBSUJKOSA-N- Molecular formula
- C15H22N2
- Average molar mass
- 230.35 g/mol
- Monoisotopic mass
- 230.17829871
Names & identifiers
- Preferred name
- (1S,5S,6S)-N,7,7-trimethyl-N-phenyl-3-azabicyclo[3.2.0]heptan-6-amine
- IUPAC
- (1S,5S,6S)-N,7,7-trimethyl-N-phenyl-3-azabicyclo[3.2.0]heptan-6-amine
- English name
- 3-Azabicyclo[3.2.0]heptan-6-amine,N,7,7-trimethyl-N-phenyl-,(1alpha,5alpha,6alpha)-(9CI)
- Molecular formula
- C15H22N2
- Molecular weight
- 230.35
Names & synonyms
3-Azabicyclo[3.2.0]heptan-6-amine,N,7,7-trimethyl-N-phenyl-,(1alpha,5alpha,6alpha)-(9CI)
Database identifiers
- CAS
787490-88-4- PubChem CID
- 131859511
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 329.454 · 329.454±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.101 · 11.101±0.60(predicted)
Related reactions
0 records
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Compound notes
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