Cas no 68957-59-5 (1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1))

1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1) structure
68957-59-5 structure
Product Name:1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1)
CAS No:68957-59-5
MF:C9H14ClF9N2O2S
MW:420.723291873932
CID:507688
PubChem ID:111910
Update Time:2025-04-19

1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1)
    • ethyl tricyclo[5.2.1.02,6]decane-4-carboxylate
    • N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide monohydrochloride
    • 1-Butanesulfonamide, N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1)
    • 1-Butanesulfonamide, N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluoro-, monohydrochloride
    • N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide, hydrochloride
    • N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide monohydrochloride
    • N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nona
    • N-(3-(Dimethylamino)propyl)-perfluorobutane-1-sulphonamide hydrochloride
    • 68957-59-5
    • DQXUCRIDVIRDMO-UHFFFAOYSA-N
    • EINECS 273-351-2
    • 1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, monohydrochloride
    • DTXSID6071904
    • NS00091055
    • Inchi: 1S/C9H13F9N2O2S.ClH/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16;/h19H,3-5H2,1-2H3;1H
    • InChI Key: DQXUCRIDVIRDMO-UHFFFAOYSA-N
    • SMILES: Cl.S(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(NCCCN(C)C)(=O)=O

Computed Properties

  • Exact Mass: 420.03222
  • Monoisotopic Mass: 420.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 8
  • Complexity: 496
  • 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: 57.8?2

Experimental Properties

  • Boiling Point: 263.7°C at 760 mmHg
  • Flash Point: 113.3°C
  • PSA: 49.41

1-Butanesulfonamide,N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-, hydrochloride (1:1) Related Literature

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