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Substance Name: Cetrimonium methosulfate
RN: 65060-02-8
UNII: 277IG2X9QC
InChIKey: OEWKLERKHURFTB-UHFFFAOYSA-M

Molecular Formula

  • C19-H42-N.C-H3-O4-S

Molecular Weight

  • 395.645
 
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Names and Synonyms

Name of Substance

  • 1-Hexadecanaminium, N,N,N-trimethyl-, methyl sulfate
  • Cetrimonium methosulfate
  • N,N,N-Trimethyl-1-hexadecanaminium methyl sulfate

Synonyms

  • Ammonium, hexadecyltrimethyl, methyl sulfate
  • EINECS 265-352-1
  • UNII-277IG2X9QC

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl-, methyl sulfate
  • 1-Hexadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)
  • Hexadecyltrimethylammonium methyl sulphate

Registry Numbers

CAS Registry Number

  • 65060-02-8

FDA UNII

  • 277IG2X9QC

Related Registry Number

  • 6899-10-1 (Parent)

System Generated Number

  • 0065060028

Molecular Formulas

Molecular Formula

  • C19-H42-N.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C19-H42-N
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C19H42N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

OEWKLERKHURFTB-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]