9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride
Basic information
- CAS
101377-89-3- Standard SMILES
O=C(OCC[NH+]1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
ISBRXSCJVBOSHD-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO3
- Average molar mass
- 416 g/mol
- Monoisotopic mass
- 415.1914215
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane-9-ethanol, benzilate (ester), hydrochloride
- IUPAC
- 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
Benzilate ester of N-(beta-hydroxyethyl)norgranatane hydrochloride9-AZABICYCLO(3.3.1)NONANE-9-ETHANOL, BENZILATE (ester), HYDROCHLORIDE101377-89-3RefChem:312982
Database identifiers
- CAS
101377-89-3- PubChem CID
- 58259
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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