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Substance Name: Cetrimonium stearate
RN: 124-23-2
UNII: 4P1PNM96KR
InChIKey: DXQWPBNWAKTXPF-UHFFFAOYSA-M

Molecular Formula

  • C19-H42-N.C18-H35-O2

Molecular Weight

  • 568.02
 
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Names and Synonyms

Name of Substance

  • Cetrimonium stearate

Synonyms

  • EINECS 204-691-1
  • UNII-4P1PNM96KR

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate
  • 1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (1:1)
  • Hexadecyltrimethylammonium stearate

Registry Numbers

CAS Registry Number

  • 124-23-2

FDA UNII

  • 4P1PNM96KR

System Generated Number

  • 0000124232

Molecular Formulas

Molecular Formula

  • C19-H42-N.C18-H35-O2

Molecular Formula Fragments

  • C18-H35-O2
  • C19-H42-N
  • COMPONENT

Structure Descriptors

InChI

1S/C19H42N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-19H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1

InChIKey

DXQWPBNWAKTXPF-UHFFFAOYSA-M

Smiles

C(CCCCCCCCCCC)CCCC[N+](C)(C)C.C(CCCCCCCCCC)CCCCCCC(=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 142.5 deg C   EXP
log P (octanol-water) 12.62 (none)   EST
Atmospheric OH Rate Constant 5.56E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.