CAS Registry Number®
6004-24-6
CAS Name
Cetylpyridinium chloride monohydrate
Molecular Formula
C21H38N.Cl.H2O
Compound Properties
-
Melting Point (1)
77-78 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
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
InChIKey
InChIKey=NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES
C(CCCCCCCCCCCCCCC)[N+]=1C=CC=CC1.[Cl-].O
Canonical SMILES
[Cl-].O.C=1C=C[N+](=CC1)CCCCCCCCCCCCCCCC
Other Names for this Substance
- Pyridinium, 1-hexadecyl-, chloride, hydrate (1:1:1)
- Pyridinium, 1-hexadecyl-, chloride, monohydrate
- Cetylpyridinium chloride monohydrate
- N-Hexadecylpyridinium chloride monohydrate
- N-Cetylpyridinium chloride monohydrate
Deleted or Replaced CAS Registry Numbers
2624170-48-3
