Cas no 596125-23-4 (1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-)

1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]- structure
596125-23-4 structure
Product Name:1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-
CAS No:596125-23-4
MF:C18H14N2O4
MW:322.314764499664
CID:1615687
Update Time:2024-09-12

1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-5-carboxamide, N-[(3-phenyl-5-isoxazolyl)methyl]-
    • Inchi: 1S/C18H14N2O4/c21-18(13-6-7-16-17(8-13)23-11-22-16)19-10-14-9-15(20-24-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)
    • InChI Key: FFRPSVSLONIYCF-UHFFFAOYSA-N
    • SMILES: O1C2=CC=C(C(NCC3ON=C(C4=CC=CC=C4)C=3)=O)C=C2OC1

Computed Properties

  • Exact Mass: 322.09542

Experimental Properties

  • Density: 1.326±0.06 g/cm3(Predicted)
  • Boiling Point: 542.8±50.0 °C(Predicted)
  • PSA: 73.59
  • pka: 12.98±0.20(Predicted)
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