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Substance Name: Octadecanoic acid, 1,2,3-propanetriyl ester, reaction products with diethylenetriamine and urea, di-Me sulfate-quaternized
RN: 68954-56-3
InChIKey: IKJHPWLBRXXDRI-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C57-H110-O6.C4-H13-N3.C2-H6-O4-S.C-H4-N2-O

Molecular Weight

  • 1180.8447
 
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Names and Synonyms

Synonym

  • Stearic acid condensate of diethylene triamine, urea, quaternary sulfate

Systematic Name

  • Octadecanoic acid, 1,2,3-propanetriyl ester, reaction products with diethylenetriamine and urea, di-Me sulfate-quaternized

Registry Numbers

CAS Registry Number

  • 68954-56-3

System Generated Number

  • 0068954563

Molecular Formulas

Molecular Formula

  • C57-H110-O6.C4-H13-N3.C2-H6-O4-S.C-H4-N2-O

Molecular Formula Fragments

  • C-H4-N2-O
  • C2-H6-O4-S
  • C4-H13-N3
  • C57-H110-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C57H110O6.C4H13N3.C2H6O4S.CH4N2O/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;5-1-3-7-4-2-6;1-5-7(3,4)6-2;2-1(3)4/h54H,4-53H2,1-3H3;7H,1-6H2;1-2H3;(H4,2,3,4)

InChIKey

IKJHPWLBRXXDRI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)OC.C(CNCCN)N.C(=O)(N)N