Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide

2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide

CAS: 58594-13-1

Molecular Formula	`C28H42Br2N2O4`
Molecular Weight	630.5 g/mol
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	13
Exact Mass	630.1491
Heavy Atoms	36
Complexity	564.0

Chemical Identifiers

CAS Number	58594-13-1
SMILES	`CCOCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCOCC.[Br-].[Br-]`
InChIKey	`ZIBXCOKSRSJVLA-UHFFFAOYSA-L`

📖 Product Overview

Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide (CAS: 58594-13-1) is a chemical compound with molecular formula C28H42Br2N2O4 and molecular weight 630.5 g/mol. Its IUPAC systematic name is 2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide. Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 13 Exact Mass 630.1491 Heavy Atoms 36 Complexity 564.0 InChI Key: ZIBXCOKSRSJVLA-UHFFFAOYSA-L. SMILES: CCOCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCOCC.[Br-].[Br-].

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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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