Basic information
- CAS
67049-63-2- Standard SMILES
CCOc1ccc(C(=O)OCCC[NH+](CC)CC)cc1.[Cl-]- InChIKey
AFJSLQKJXLSCBC-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO3
- Average molar mass
- 315.83 g/mol
- Monoisotopic mass
- 315.1601214
Names & identifiers
- Preferred name
- Benzoic acid, p-ethoxy-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(4-ethoxybenzoyl)oxypropyl-diethylazanium chloride
Names & synonyms
BENZOIC ACID, p-ETHOXY-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE67049-63-2RefChem:1079317p-Ethoxybenzoic acid 3-(diethylamino)propyl ester hydrochloridegamma-Diethylaminopropyl-4-ethoxy benzoate hydrochloride
Database identifiers
- CAS
67049-63-2- PubChem CID
- 49084
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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