Basic information
- CAS
67031-84-9- Standard SMILES
C[NH+](CCOC(=O)c1ccccc1)CCc1ccccc1.[Cl-]- InChIKey
BGJBIEZGGQQGCU-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1339066
Names & identifiers
- Preferred name
- Benzoic acid, 2-(N-methyl-N-phenethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-benzoyloxyethyl-methyl-(2-phenylethyl)azanium chloride
Names & synonyms
BENZOIC ACID, 2-(N-METHYL-N-PHENETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE67031-84-9RefChem:1078974
Database identifiers
- CAS
67031-84-9- PubChem CID
- 48946
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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