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Substance Name: 1-Hexadecanaminium, N-(2-(bis(2-hydroxyhexadecyl)amino)ethyl)-N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-, ethyl sulfate (1:1)
RN: 67905-25-3
InChIKey: NXUBTWSETLKQJZ-UHFFFAOYSA-M

Molecular Formula

  • C54-H113-N2-O4.C2-H5-O4-S

Molecular Weight

  • 979.62
 
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Names and Synonyms

Synonym

  • EINECS 267-643-9

Systematic Names

  • (2-(Bis(2-hydroxyhexadecyl)amino)ethyl)ethyl(2-hydroxyethyl)(2-hydroxyhexadecyl)ammonium ethyl sulphate
  • 1-Hexadecanaminium, N-(2-(bis(2-hydroxyhexadecyl)amino)ethyl)-N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-, ethyl sulfate (1:1)
  • 1-Hexadecanaminium, N-(2-(bis(2-hydroxyhexadecyl)amino)ethyl)-N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-, ethyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 67905-25-3

System Generated Number

  • 0067905253

Molecular Formulas

Molecular Formula

  • C54-H113-N2-O4.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C54-H113-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C54H113N2O4.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-52(58)49-55(50-53(59)43-40-37-34-31-28-25-22-19-16-13-10-6-2)45-46-56(8-4,47-48-57)51-54(60)44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h52-54,57-60H,5-51H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

NXUBTWSETLKQJZ-UHFFFAOYSA-M

Smiles

C([N@@+](CCO)(CC)CCN(C[C@@H](CCCCCCCCCCCCCC)O)C[C@@H](CCCCCCCCCCCCCC)O)[C@@H](O)CCCCCCCCCCCCCC.S(=O)(=O)(OCC)[O-]