Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrochloride

HCID 28628

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Basic information

CAS: 17599-08-5
Standard SMILES: CC[NH+](CC)CCCOC(=O)c1ccc(N)cc1.[Cl-]
InChIKey: WGEDOOVUEDNXLD-UHFFFAOYSA-N
Molecular formula: C14H23ClN2O2
Average molar mass: 286.8 g/mol
Monoisotopic mass: 286.1448057

Names & identifiers

Preferred name: Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrochloride
IUPAC: 3-(4-aminobenzoyl)oxypropyl-diethylazanium chloride

Names & synonyms

BENZOIC ACID, p-AMINO-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE17599-08-5RefChem:1079297p-Aminobenzoic acid 3-(diethylamino)propyl ester hydrochlorideNSC 159411p-Amino benzoyl di-ethyl amino propanol hydrochloride

Database identifiers

CAS: 17599-08-5
PubChem CID: 28628

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 234

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