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Substance Name: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
RN: 123312-54-9
InChIKey: DYJCDOZDBMRUEB-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C38-H80-N.H-O4-S

Molecular Weight

  • 648.127
 
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Names and Synonyms

Synonyms

  • Distearyldimethylammonium bisulfate
  • EC 404-050-8

Systematic Names

  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
  • N,N-Dimethyl-N,N-dioctadecylammonium hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 123312-54-9

Related Registry Number

  • 14357-21-2 (Parent)

System Generated Number

  • 0123312549

Molecular Formulas

Molecular Formula

  • C38-H80-N.H-O4-S

Molecular Formula Fragments

  • C38-H80-N
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C38H80N.H2O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5(2,3)4/h5-38H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

DYJCDOZDBMRUEB-UHFFFAOYSA-M

Smiles

S([O-])(=O)(=O)O.[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)(C)C