Basic information
- CAS
73713-63-0- Standard SMILES
CCOc1ccccc1C(=O)OC(C[NH+](CC)CC)c1ccccc1.[Cl-]- InChIKey
QSJMQOPHOXDMOZ-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO3
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1757714
Names & identifiers
- Preferred name
- Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride
- IUPAC
- [2-(2-ethoxybenzoyl)oxy-2-phenylethyl]-diethylazanium chloride
Names & synonyms
BENZOIC ACID, o-ETHOXY-, 2-DIETHYLAMINO-1-PHENYLETHYL ESTER, HYDROCHLORIDE73713-63-0RefChem:1079224NSC 231560Ethanol, 2-diethylamino-1-phenyl-, o-ethoxybenzoate, hydrochloride2-Diethylamino-1-phenylethanol, o-ethoxybenzoate ester, hydrochlorideBenzoic acid, 2-ethoxy-, 2-(diethylamino)-1-phenylethyl ester, hydrochloride
Database identifiers
- CAS
73713-63-0- PubChem CID
- 52264
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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