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

HCID 28630

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Basic information

CAS: 17599-09-6
Standard SMILES: CCC[NH+](CCC)CCCOC(=O)c1ccc(N)cc1.[Cl-]
InChIKey: YFKSQNZDUJYJHM-UHFFFAOYSA-N
Molecular formula: C16H27ClN2O2
Average molar mass: 314.8 g/mol
Monoisotopic mass: 314.1761058

Names & identifiers

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

Names & synonyms

BENZOIC ACID, p-AMINO-, 3-(DIPROPYLAMINO)PROPYL ESTER, HYDROCHLORIDE17599-09-6RefChem:1079298p-Aminobenzoic acid 3-(dipropylamino)propyl ester hydrochlorideNSC 27211p-Amino benzoyl di-n-propyl amino propanol hydrochloride

Database identifiers

CAS: 17599-09-6
PubChem CID: 28630

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 21
Formal charge: 0
Complexity: 257

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