Cas no 68957-58-4 (1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1))

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1) structure
68957-58-4 structure
Product Name:1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1)
CAS No:68957-58-4
MF:C12H16F13IN2O2S
MW:626.216360092163
CID:518792
PubChem ID:111909
Update Time:2025-04-19

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1)
    • trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium,iodide
    • trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
    • 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)
    • 1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, iodide
    • 3-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide
    • N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium iodide
    • Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium iodide
    • EINECS 273-350-7
    • ISWKWKSVIRGKHB-UHFFFAOYSA-M
    • DTXSID90880939
    • 3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide
    • 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide
    • 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide
    • 68957-58-4
    • NS00091598
    • Trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]propylammonium iodide
    • Inchi： 1S/C12H16F13N2O2S.HI/c1-27(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;/h26H,4-6H2,1-3H3;1H/q+1;/p-1
    • InChI Key： ISWKWKSVIRGKHB-UHFFFAOYSA-M
    • SMILES： [I-].S(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(NCCC[N+](C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 609.8513
  • Monoisotopic Mass: 625.976958
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 10
  • Complexity: 705
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.6

Experimental Properties

  • PSA: 48.24

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1) Related Literature

68957-58-4 (1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,iodide (1:1)) Related Products

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