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Substance Name: 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)
RN: 70248-52-1
InChIKey: YBMZDDVMZMNFRI-UHFFFAOYSA-L

Classification Code

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

Molecular Formula

  • C12-H16-F13-N2-O2-S.1/2O4-S

Molecular Weight

  • 1094.68
 
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Names and Synonyms

Synonyms

  • 3-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)
  • EINECS 274-515-6

Systematic Names

  • 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)
  • 1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, sulfate (2:1)
  • Bis(trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium) sulphate

Registry Numbers

CAS Registry Number

  • 70248-52-1

System Generated Number

  • 0070248521

Molecular Formulas

Molecular Formula

  • C12-H16-F13-N2-O2-S.1/2O4-S

Molecular Formula Fragments

  • C12-H16-F13-N2-O2-S
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C12H16F13N2O2S.H2O4S/c2*1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;1-5(2,3)4/h2*26H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

YBMZDDVMZMNFRI-UHFFFAOYSA-L

Smiles

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