Cas no 139258-43-8 (Heptanamide, 3-oxo-N-[4-(trifluoromethyl)phenyl]-)

Heptanamide, 3-oxo-N-[4-(trifluoromethyl)phenyl]- structure
139258-43-8 structure
Product Name:Heptanamide, 3-oxo-N-[4-(trifluoromethyl)phenyl]-
CAS No:139258-43-8
MF:C14H16F3NO2
MW:287.277554512024
CID:1274673
Update Time:2024-08-04

Heptanamide, 3-oxo-N-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Heptanamide, 3-oxo-N-[4-(trifluoromethyl)phenyl]-
    • Inchi: 1S/C14H16F3NO2/c1-2-3-4-12(19)9-13(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8H,2-4,9H2,1H3,(H,18,20)
    • InChI Key: RDAYATXLLZNVCA-UHFFFAOYSA-N
    • SMILES: C(NC1=CC=C(C(F)(F)F)C=C1)(=O)CC(=O)CCCC

Computed Properties

  • Exact Mass: 287.11338

Experimental Properties

  • Density: 1.218±0.06 g/cm3(Predicted)
  • Boiling Point: 403.1±45.0 °C(Predicted)
  • PSA: 46.17
  • pka: 10.76±0.46(Predicted)
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