Cas no 53518-00-6 (1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-,chloride (1:1))

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-,chloride (1:1) structure
53518-00-6 structure
Product Name:1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-,chloride (1:1)
CAS No:53518-00-6
MF:C10H16ClF9N2O2S
MW:434.749872207642
CID:374802
PubChem ID:104520
Update Time:2025-04-19

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-,chloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-,chloride (1:1)
    • trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium chloride
    • 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, chloride (1:1)
    • 1-Propanaminium, N,N,N-trimethyl-3-(((nonafluorobutyl)sulfonyl)amino)-, chloride
    • 3-(((Nonafluorobutyl)sulfonyl)-amino)-N,N,N-trimethyl-1-propanaminium chloride
    • N,N,N-trimethyl-3-{[(nonafluorobutyl)sulfonyl]amino}propan-1-aminium chloride
    • Trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium chloride
    • 1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]-, chloride
    • Trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]propylammonium chloride
    • NS00089444
    • EINECS 258-597-0
    • 53518-00-6
    • DTXSID60880461
    • XPUBELOONPJHFF-UHFFFAOYSA-M
    • Trimethyl-3-((perfluorobutylsulphonyl)amino)propylammonium chloride
    • Inchi: 1S/C10H16F9N2O2S.ClH/c1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;/h20H,4-6H2,1-3H3;1H/q+1;/p-1
    • InChI Key: XPUBELOONPJHFF-UHFFFAOYSA-M
    • SMILES: [Cl-].S(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(NCCC[N+](C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 417.9226
  • Monoisotopic Mass: 434.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 8
  • Complexity: 532
  • 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?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 48.24
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