Metalkonium chloride

benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloride

CAS: 100-95-8

Molecular Formula	`C23H41ClN2O`
Molecular Weight	397.0 g/mol
Topological Polar Surface Area	29.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	15
Exact Mass	396.29074
Heavy Atoms	27
Complexity	348.0

Chemical Identifiers

CAS Number	100-95-8
SMILES	`CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]`
InChIKey	`COLOBWZNRYGBRU-UHFFFAOYSA-N`

📖 Product Overview

Metalkonium chloride (CAS: 100-95-8) is a chemical compound with molecular formula C23H41ClN2O and molecular weight 397.0 g/mol. Its IUPAC systematic name is benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloride. Topological Polar Surface Area 29.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 15 Exact Mass 396.29074 Heavy Atoms 27 Complexity 348.0 InChI Key: COLOBWZNRYGBRU-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-].

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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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