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Substance Name: Diammonium 2-(N-ethyl(perfluorooctane)sulfonamido)ethyl phosphate
RN: 67969-69-1
UNII: H9Y5CA933U
InChIKey: QANWDYJVELNYTF-UHFFFAOYSA-N

Classification Code

  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Molecular Formula

  • C12-H11-F17-N-O6-P-S.2H3-N

Molecular Weight

  • 685.287
 
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Names and Synonyms

Name of Substance

  • Diammonium 2-(N-ethyl(perfluorooctane)sulfonamido)ethyl phosphate

Synonyms

  • EINECS 267-977-5
  • N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-1-octanesulfonamide, ammonium salt
  • UNII-H9Y5CA933U

Systematic Names

  • 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)
  • 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, diammonium salt
  • Diammonium N-ethylheptadecafluoro-N-(2-(phosphonatooxy)ethyl)octanesulphonamidate

Registry Numbers

CAS Registry Number

  • 67969-69-1

FDA UNII

  • H9Y5CA933U

Related Registry Number

  • 3820-83-5 (Parent)

System Generated Number

  • 0067969691

Molecular Formulas

Molecular Formula

  • C12-H11-F17-N-O6-P-S.2H3-N

Molecular Formula Fragments

  • C12-H11-F17-N-O6-P-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C12H11F17NO6PS.2H3N/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;;/h2-4H2,1H3,(H2,31,32,33);2*1H3

InChIKey

QANWDYJVELNYTF-UHFFFAOYSA-N

Smiles

C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S([N@@](CCOP(=O)(O)O)CC)(=O)=O)(F)F.N.N