Benzoic acid, p-amino-, (2-((1,3-dimethylbutyl)amino)-1-methyl)ethyl ester, hydrochloride

2-(4-aminobenzoyl)oxypropyl-(4-methylpentan-2-yl)azanium chloride

CAS: 69781-45-9

Molecular Formula	`C16H27ClN2O2`
Molecular Weight	314.8 g/mol
Topological Polar Surface Area	68.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	314.17612
Heavy Atoms	21
Complexity	286.0

Chemical Identifiers

CAS Number	69781-45-9
SMILES	`CC(C)CC(C)[NH2+]CC(C)OC(=O)C1=CC=C(C=C1)N.[Cl-]`
InChIKey	`JKQNYJSVJHFBHY-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, p-amino-, (2-((1,3-dimethylbutyl)amino)-1-methyl)ethyl ester, hydrochloride (CAS: 69781-45-9) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.8 g/mol. Its IUPAC systematic name is 2-(4-aminobenzoyl)oxypropyl-(4-methylpentan-2-yl)azanium chloride. Topological Polar Surface Area 68.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 314.17612 Heavy Atoms 21 Complexity 286.0 InChI Key: JKQNYJSVJHFBHY-UHFFFAOYSA-N. SMILES: CC(C)CC(C)[NH2+]CC(C)OC(=O)C1=CC=C(C=C1)N.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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