Basic information
- CAS
67070-18-2- Standard SMILES
C[NH+](CCCCc1ccccc1)CCOC(=O)c1ccccc1.[Cl-]- InChIKey
NDHQXNUMPRHYHX-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1652068
Names & identifiers
- Preferred name
- Benzoic acid, 2-(N-methyl-N-(4-phenylbutyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-benzoyloxyethyl-methyl-(4-phenylbutyl)azanium chloride
Names & synonyms
BENZOIC ACID, 2-(N-METHYL-N-(4-PHENYLBUTYL)AMINO)ETHYL ESTER, HYDROCHLORIDE67070-18-2RefChem:1078973
Database identifiers
- CAS
67070-18-2- PubChem CID
- 49347
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…