Cetylpyridinium chloride monohydrate

1-hexadecylpyridin-1-ium;chloride;hydrate

CAS: 6004-24-6

Molecular Formula	`C21H40ClNO`
Molecular Weight	358.0 g/mol
Topological Polar Surface Area	4.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	15
Exact Mass	357.27985
Heavy Atoms	24
Complexity	208.0

Chemical Identifiers

CAS Number	6004-24-6
SMILES	`CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]`
InChIKey	`NFCRBQADEGXVDL-UHFFFAOYSA-M`

📖 Product Overview

Cetylpyridinium chloride monohydrate (CAS: 6004-24-6) is a chemical compound with molecular formula C21H40ClNO and molecular weight 358.0 g/mol. Its IUPAC systematic name is 1-hexadecylpyridin-1-ium;chloride;hydrate. Topological Polar Surface Area 4.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 15 Exact Mass 357.27985 Heavy Atoms 24 Complexity 208.0 InChI Key: NFCRBQADEGXVDL-UHFFFAOYSA-M. SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-].

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