Basic information
- CAS
67031-87-2- Standard SMILES
C[NH+](CCCc1ccccc1)CCOC(=O)c1ccccc1.[Cl-]- InChIKey
KLNXMFDXIFKFIY-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1495567
Names & identifiers
- Preferred name
- Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-benzoyloxyethyl-methyl-(3-phenylpropyl)azanium chloride
Names & synonyms
BENZOIC ACID, 2-(N-METHYL-N-(3-PHENYLPROPYL)AMINO)ETHYL ESTER, HYDROCHLORIDE67031-87-2RefChem:1078972
Database identifiers
- CAS
67031-87-2- PubChem CID
- 48952
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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