p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester citrate (3:1)

2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate

CAS: 67031-51-0

Molecular Formula	`C23H36N2O9`
Molecular Weight	484.5 g/mol
Topological Polar Surface Area	204.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	15
Exact Mass	484.2421
Heavy Atoms	34
Complexity	500.0

Chemical Identifiers

CAS Number	67031-51-0
SMILES	`CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O`
InChIKey	`KXADUILFVSZACA-UHFFFAOYSA-N`

📖 Product Overview

p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester citrate (3:1) (CAS: 67031-51-0) is a chemical compound with molecular formula C23H36N2O9 and molecular weight 484.5 g/mol. Its IUPAC systematic name is 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate. Topological Polar Surface Area 204.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 10 Rotatable Bonds 15 Exact Mass 484.2421 Heavy Atoms 34 Complexity 500.0 InChI Key: KXADUILFVSZACA-UHFFFAOYSA-N. SMILES: CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.

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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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