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

HCID 28632

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Basic information

CAS: 17599-17-6
Standard SMILES: CC(C)C[NH+](CCCOC(=O)c1ccc(N)cc1)CC(C)C.[Cl-]
InChIKey: JYQZCCAINRBTAX-UHFFFAOYSA-N
Molecular formula: C18H31ClN2O2
Average molar mass: 342.9 g/mol
Monoisotopic mass: 342.2074059

Names & identifiers

Preferred name: Benzoic acid, p-amino-, 3-(diisobutylamino)propyl ester, hydrochloride
IUPAC: 3-(4-aminobenzoyl)oxypropyl-bis(2-methylpropyl)azanium chloride

Names & synonyms

p-Aminobenzoic acid 3-(diisobutylamino)propyl ester hydrochlorideBENZOIC ACID, p-AMINO-, 3-(DIISOBUTYLAMINO)PROPYL ESTER, HYDROCHLORIDE17599-17-6RefChem:327919

Database identifiers

CAS: 17599-17-6
PubChem CID: 28632

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 300

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