Dimethylheptyl(2-hydroxyethyl)ammonium bromide benzilate

heptyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide

CAS: 56927-42-5

Molecular Formula	`C25H36BrNO3`
Molecular Weight	478.5 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	13
Exact Mass	477.18787
Heavy Atoms	30
Complexity	447.0

Chemical Identifiers

CAS Number	56927-42-5
SMILES	`CCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]`
InChIKey	`LJSAYCZHIMBNKA-UHFFFAOYSA-M`

📖 Product Overview

Dimethylheptyl(2-hydroxyethyl)ammonium bromide benzilate (CAS: 56927-42-5) is a chemical compound with molecular formula C25H36BrNO3 and molecular weight 478.5 g/mol. Its IUPAC systematic name is heptyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 13 Exact Mass 477.18787 Heavy Atoms 30 Complexity 447.0 InChI Key: LJSAYCZHIMBNKA-UHFFFAOYSA-M. SMILES: CCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[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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