Basic information
- CAS
67032-29-5- Standard SMILES
O=C(OCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1.[Cl-]- InChIKey
BAWQRQZIJSKAOK-UHFFFAOYSA-N- Molecular formula
- C23H24ClNO2
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1495567
Names & identifiers
- Preferred name
- Benzoic acid, 2-(dibenzylamino)ethyl ester, hydrochloride
- IUPAC
- 2-benzoyloxyethyl(dibenzyl)azanium chloride
Names & synonyms
BENZOIC ACID, 2-(DIBENZYLAMINO)ETHYL ESTER, HYDROCHLORIDE67032-29-5RefChem:1078968N-(2-Hydroxyethyl)dibenzylamine benzoate hydrochloride
Database identifiers
- CAS
67032-29-5- PubChem CID
- 49012
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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