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Substance Name: N-Ethyl-N,N-dimethyl-3-((1-oxooctadecyl)amino)-1-propanaminium ethyl sulfate
RN: 67846-16-6
UNII: 35XUP1PVY7
InChIKey: WBJQGBBEPJLNKP-UHFFFAOYSA-N

Molecular Formula

  • C25-H53-N2-O.C2-H5-O4-S

Molecular Weight

  • 522.83
 
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Names and Synonyms

Name of Substance

  • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, ethyl sulfate
  • N-Ethyl-N,N-dimethyl-3-((1-oxooctadecyl)amino)-1-propanaminium ethyl sulfate
  • Stearamidopropyl ethyldimonium ethosulfate

Synonyms

  • EINECS 267-360-0
  • UNII-35XUP1PVY7

Systematic Names

  • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, ethyl sulfate
  • 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, ethyl sulfate (1:1)
  • Ethyldimethyl(3-((1-oxooctadecyl)amino)propyl)ammonium ethyl sulphate

Registry Numbers

CAS Registry Number

  • 67846-16-6

FDA UNII

  • 35XUP1PVY7

System Generated Number

  • 0067846166

Molecular Formulas

Molecular Formula

  • C25-H53-N2-O.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C25-H53-N2-O
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)

InChIKey

WBJQGBBEPJLNKP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]