Basic information
- CAS
99901-11-8- Standard SMILES
CC(COC(=O)C(O)(c1ccccc1)c1ccccc1)[NH+]1CCCCCCCC1.[Cl-]- InChIKey
GPZAFJAUIWVZCI-UHFFFAOYSA-N- Molecular formula
- C25H34ClNO3
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.2227216
Names & identifiers
- Preferred name
- 1H-Azonine-1-ethanol, octahydro-beta-methyl-, benzilate, hydrochloride
- IUPAC
- 2-(azonan-1-ium-1-yl)propyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
1H-AZONINE-1-ETHANOL, OCTAHYDRO-beta-METHYL-, BENZILATE, HYDROCHLORIDE99901-11-8RefChem:10578042-(1,8-Octamethyleneamino)propyl benzilate hydrochloride
Database identifiers
- CAS
99901-11-8- PubChem CID
- 57580
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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