Basic information
- CAS
67031-59-8- Standard SMILES
C[NH+](CCCOC(=O)c1ccccc1)Cc1ccccc1.[Cl-]- InChIKey
JZKSYCBYYJTWRA-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1339066
Names & identifiers
- Preferred name
- Benzoic acid, 3-(N-benzyl-N-methylamino)propyl ester, hydrochloride
- IUPAC
- 3-benzoyloxypropyl-benzyl-methylazanium chloride
Names & synonyms
BENZOIC ACID, 3-(N-BENZYL-N-METHYLAMINO)PROPYL ESTER, HYDROCHLORIDE67031-59-8RefChem:1079062
Database identifiers
- CAS
67031-59-8- PubChem CID
- 48919
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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