Cas no 914775-78-3 (N1,N1-dimethyl-5-(trifluoromethylsulfonyl)benzene-1,2-diamine)

N1,N1-dimethyl-5-(trifluoromethylsulfonyl)benzene-1,2-diamine structure
914775-78-3 structure
Product Name:N1,N1-dimethyl-5-(trifluoromethylsulfonyl)benzene-1,2-diamine
CAS No:914775-78-3
MF:C9H11F3N2O2S
MW:268.256051301956
CID:996444
PubChem ID:57355764
Update Time:2025-04-20

N1,N1-dimethyl-5-(trifluoromethylsulfonyl)benzene-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • N1,N1-dimethyl-5-(trifluoromethylsulfonyl)benzene-1,2-diamine
    • 2-N,2-N-dimethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine
    • SCHEMBL2789900
    • NJWVFJMSGMUQJS-UHFFFAOYSA-N
    • 914775-78-3
    • DTXSID70723299
    • N~2~,N~2~-Dimethyl-4-(trifluoromethanesulfonyl)benzene-1,2-diamine
    • N-{2-amino-5-[(trifluoromethyl)sulfonyl]phenyl}-N,N-dimethylamine
    • Inchi: 1S/C9H11F3N2O2S/c1-14(2)8-5-6(3-4-7(8)13)17(15,16)9(10,11)12/h3-5H,13H2,1-2H3
    • InChI Key: NJWVFJMSGMUQJS-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=CC(=C(C=1)N(C)C)N)(=O)=O

Computed Properties

  • Exact Mass: 268.04933326g/mol
  • Monoisotopic Mass: 268.04933326g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 361
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 71.8?2
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