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Substance Name: Quaternium-82
RN: 65059-61-2
UNII: AFS70NB1WJ
InChIKey: TWNJSZBYPPKSFE-BAYNMDCWSA-M

Molecular Formula

  • C51-H99-N2-O6.C-H3-O4-S

Molecular Weight

  • 947.448
 
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Names and Synonyms

Name of Substance

  • Quaternium-82

Synonyms

  • EINECS 265-339-0
  • UNII-AFS70NB1WJ

Systematic Names

  • (2-(Bis(2-hydroxypropyl)amino)ethyl)bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
  • 1-Propanaminium, N-(2-(bis(2-hydroxypropyl)amino)ethyl)-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (1:1)
  • 1-Propanaminium, N-(2-(bis(2-hydroxypropyl)amino)ethyl)-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 65059-61-2

FDA UNII

  • AFS70NB1WJ

System Generated Number

  • 0065059612

Molecular Formulas

Molecular Formula

  • C51-H99-N2-O6.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C51-H99-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;

InChIKey

TWNJSZBYPPKSFE-BAYNMDCWSA-M

Smiles

C(CCCCCCC\C=C\CCCCCCCC)(O[C@@H](C[N@@](C[C@@H](O)C)CC[N@@+](C)(C[C@@H](C)OC(CCCCCCCC\C=C\CCCCCCC)=O)C[C@@H](O)C)C)=O.S([O-])(=O)(=O)OC