Benzyldiethyl(2-hydroxyethyl)ammonium bromide dibutylcarbamate

benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium bromide

CAS: 100411-45-8

Molecular Formula	`C22H39BrN2O2`
Molecular Weight	443.5 g/mol
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	14
Exact Mass	442.21948
Heavy Atoms	27
Complexity	355.0

Chemical Identifiers

CAS Number	100411-45-8
SMILES	`CCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC1=CC=CC=C1.[Br-]`
InChIKey	`LBJKIYPMRCZLBA-UHFFFAOYSA-M`

📖 Product Overview

Benzyldiethyl(2-hydroxyethyl)ammonium bromide dibutylcarbamate (CAS: 100411-45-8) is a chemical compound with molecular formula C22H39BrN2O2 and molecular weight 443.5 g/mol. Its IUPAC systematic name is benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium bromide. Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 14 Exact Mass 442.21948 Heavy Atoms 27 Complexity 355.0 InChI Key: LBJKIYPMRCZLBA-UHFFFAOYSA-M. SMILES: CCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC1=CC=CC=C1.[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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