9-Azabicyclo(3.3.1)nonane, 3-beta-phenyl-9-benzyl-, hydrochloride
Basic information
- CAS
2448-15-9- Standard SMILES
[Cl-].c1ccc(C[NH+]2C3CCCC2CC(c2ccccc2)C3)cc1- InChIKey
SDFIBMNXLKMSSV-UHFFFAOYSA-N- Molecular formula
- C21H26ClN
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1753775
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 3-beta-phenyl-9-benzyl-, hydrochloride
- IUPAC
- 9-benzyl-3-phenyl-9-azoniabicyclo[3.3.1]nonane chloride
Names & synonyms
3-beta-Phenyl-9-benzyl-9-azabicyclo(3.3.1)nonane hydrochloride2448-15-99-AZABICYCLO(3.3.1)NONANE, 3-beta-PHENYL-9-BENZYL-, HYDROCHLORIDERefChem:312968
Database identifiers
- CAS
2448-15-9- PubChem CID
- 17137
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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