Benzoic acid, 2,3-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Basic information
- CAS
92726-06-2- Standard SMILES
CC[NH+](CC)CCOC(=O)c1cccc(C)c1C.[Cl-]- InChIKey
UIGUISYLUSMVES-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- Benzoic acid, 2,3-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-(2,3-dimethylbenzoyl)oxyethyl-diethylazanium chloride
Names & synonyms
92726-06-2RefChem:1078913Benzoic acid, 2,3-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)2,3-Dimethylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride2-Diethylaminoethyl 2,3-dimethylbenzoate hydrochlorideBENZOIC ACID, 2,3-DIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
92726-06-2- PubChem CID
- 56477
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
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