o-Bromo-N-(4-bromopentyl)-N-ethylbenzylamine oxalate

4-bromopentyl-[(2-bromophenyl)methyl]-ethylazanium;2-hydroxy-2-oxoacetate

CAS: 40616-88-4

Molecular Formula	`C16H23Br2NO4`
Molecular Weight	453.2 g/mol
Topological Polar Surface Area	81.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	452.99734
Heavy Atoms	23
Complexity	277.0

Chemical Identifiers

CAS Number	40616-88-4
SMILES	`CC[NH+](CCCC(C)Br)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O`
InChIKey	`HQKQVLYWKYPHSI-UHFFFAOYSA-N`

📖 Product Overview

o-Bromo-N-(4-bromopentyl)-N-ethylbenzylamine oxalate (CAS: 40616-88-4) is a chemical compound with molecular formula C16H23Br2NO4 and molecular weight 453.2 g/mol. Its IUPAC systematic name is 4-bromopentyl-[(2-bromophenyl)methyl]-ethylazanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 81.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 452.99734 Heavy Atoms 23 Complexity 277.0 InChI Key: HQKQVLYWKYPHSI-UHFFFAOYSA-N. SMILES: CC[NH+](CCCC(C)Br)CC1=CC=CC=C1Br.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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