Basic information
- CAS
67031-58-7- Standard SMILES
C[NH+](CCOC(=O)c1ccccc1)Cc1ccccc1.[Cl-]- InChIKey
IMYXRFIPBWRGQU-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- Benzoic acid, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride
- IUPAC
- 2-benzoyloxyethyl-benzyl-methylazanium chloride
Names & synonyms
BENZOIC ACID, 2-(N-BENZYL-N-METHYLAMINO)ETHYL ESTER, HYDROCHLORIDE67031-58-7RefChem:1078971
Database identifiers
- CAS
67031-58-7- PubChem CID
- 48917
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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