Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide

[2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide

CAS: 77985-01-4

Molecular Formula	`C30H46Br2N2O4`
Molecular Weight	658.5 g/mol
Topological Polar Surface Area	74.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	15
Exact Mass	658.18036
Heavy Atoms	38
Complexity	587.0

Chemical Identifiers

CAS Number	77985-01-4
SMILES	`CC[N+](CC)(CCCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CCCO.[Br-].[Br-]`
InChIKey	`DMJRBYKPCIQLSL-UHFFFAOYSA-L`

📖 Product Overview

Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide (CAS: 77985-01-4) is a chemical compound with molecular formula C30H46Br2N2O4 and molecular weight 658.5 g/mol. Its IUPAC systematic name is [2-[4-[4-[2-[diethyl(3-hydroxypropyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-diethyl-(3-hydroxypropyl)azanium dibromide. Topological Polar Surface Area 74.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 15 Exact Mass 658.18036 Heavy Atoms 38 Complexity 587.0 InChI Key: DMJRBYKPCIQLSL-UHFFFAOYSA-L. SMILES: CC[N+](CC)(CCCO)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](CC)(CC)CCCO.[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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