Cetylpyridinium chloride monohydrate

CAS Registry Number®

6004-24-6
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CAS Name

Cetylpyridinium chloride monohydrate

Molecular Formula

C21H38N.Cl.H2O

Cite this Page

Cetylpyridinium chloride monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=6004-24-6 (retrieved 2022-07-01) (CAS RN: 6004-24-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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