Cas no 116726-06-8 (2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-)

2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]- structure
116726-06-8 structure
Product Name:2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
CAS No:116726-06-8
MF:C14H12F3N3O5
MW:359.257393836975
CID:139619
PubChem ID:189441
Update Time:2025-04-19

2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-
    • N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]prop-2-enamide
    • 116726-06-8
    • 2-Propenamide, N-(cyclopropylmethyl)-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-
    • DTXSID80151483
    • Inchi： 1S/C14H12F3N3O5/c1-2-12(21)18(7-8-3-4-8)13-10(19(22)23)5-9(14(15,16)17)6-11(13)20(24)25/h2,5-6,8H,1,3-4,7H2
    • InChI Key： XYRWLXXVMVYXAQ-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])N(C(C=C)=O)CC1CC1)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 359.07296
  • Monoisotopic Mass: 359.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 544
  • 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: 3.2
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.502
  • Boiling Point: 406.8°C at 760 mmHg
  • Flash Point: 199.9°C
  • Refractive Index: 1.579
  • PSA: 106.59

2-Propenamide,N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]- Related Literature

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