Benzoic acid, 3,4,5-trimethoxy-, 2-((5-chloropentyl)ethylamino)ethyl ester, oxalate

4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate

CAS: 54112-84-4

Molecular Formula	`C21H32ClNO9`
Molecular Weight	477.9 g/mol
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	477.17654
Heavy Atoms	32
Complexity	462.0

Chemical Identifiers

CAS Number	54112-84-4
SMILES	`CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O`
InChIKey	`URILAFSRXOZGRO-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,4,5-trimethoxy-, 2-((5-chloropentyl)ethylamino)ethyl ester, oxalate (CAS: 54112-84-4) is a chemical compound with molecular formula C21H32ClNO9 and molecular weight 477.9 g/mol. Its IUPAC systematic name is 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 13 Exact Mass 477.17654 Heavy Atoms 32 Complexity 462.0 InChI Key: URILAFSRXOZGRO-UHFFFAOYSA-N. SMILES: CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[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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