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Substance Name: Quaternium-3
RN: 68989-01-5
UNII: Q3NHK36BKL
InChIKey: VGTOUOZCVUBDBV-UHFFFAOYSA-M

Classification Code

  • TSCA UVCB

Molecular Formula

  • C7-H5-N-O3-S.Unspecified

Molecular Weight

  • 514.77
 
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Names and Synonyms

Results Name

  • Quaternium-3

Name of Substance

  • Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, saccharinate
  • Myristalkonium saccharinate
  • Myristyl dimethyl benzyl ammonium saccharinate
  • N,N-Dimethyl-N-tetradecylbenzenemethanaminium saccharinate
  • Quaternium-3

Synonyms

  • (C12-C18)Alkyldimethylbenzylammonium saccharinate
  • C12-18-Alkyldimethylbenzyl ammonium saccharinate
  • EINECS 273-545-7
  • UNII-Q3NHK36BKL

Systematic Name

  • Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, salts with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)

Registry Numbers

CAS Registry Number

  • 68989-01-5

FDA UNII

  • Q3NHK36BKL

System Generated Number

  • 0068989015

Molecular Formulas

Molecular Formula

  • C7-H5-N-O3-S.Unspecified

Molecular Formula Fragments

  • C7-H5-N-O3-S
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/C23H42N.C7H5NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1-4H,(H,8,9)/q+1;/p-1

InChIKey

VGTOUOZCVUBDBV-UHFFFAOYSA-M

Smiles

c1(C[N+](CCCCCCCCCCCCCC)(C)C)ccccc1.c12c(C(=O)[NH-]S1(=O)=O)cccc2