Cetylpyridinium chloride monohydrate

Catalog Number	ACM6004246
CAS	6004-24-6
Structure
Synonyms	Pyridinium, 1-hexadecyl-, chloride, monohydrate;Cetylpyridinium chloride
IUPAC Name	1-Hexadecylpyridin-1-ium;chloride;hydrate
Molecular Weight	358.0014
Molecular Formula	C21H38ClN.H₂O
Canonical SMILES	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
InChI	NFCRBQADEGXVDL-UHFFFAOYSA-M
InChI Key	InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
Melting Point	81-84 °C
Purity	98%+
Appearance	White powder
Storage	Ambient
Complexity	208
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	357.2798426
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Monoisotopic Mass	357.2798426
pH	5.0-5.4 (10g/l, H2O, 20°C)
Physical State	Solid
Rotatable Bond Count	15
Topological Polar Surface Area	4.9 Ų

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Cetylpyridinium chloride monohydrate (6004-24-6)

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