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Substance Name: 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)
RN: 70225-26-2
InChIKey: ZYOSJTVTMOLODL-UHFFFAOYSA-L

Classification Code

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

Molecular Formula

  • C14-H16-F17-N2-O2-S.1/2O4-S

Molecular Weight

  • 1294.71
 
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Names and Synonyms

Synonyms

  • 3-(((Heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)
  • EINECS 274-469-7

Systematic Names

  • (3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium hydrogen sulphate
  • 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)
  • 1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 70225-26-2

System Generated Number

  • 0070225262

Molecular Formulas

Molecular Formula

  • C14-H16-F17-N2-O2-S.1/2O4-S

Molecular Formula Fragments

  • C14-H16-F17-N2-O2-S
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C14H16F17N2O2S.H2O4S/c2*1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;1-5(2,3)4/h2*32H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

ZYOSJTVTMOLODL-UHFFFAOYSA-L

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCCC[N+](C)(C)C.S([O-])(=O)(=O)[O-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCCC[N+](C)(C)C