Cas no 134801-00-6 (1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-methyl-)

1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-methyl- structure
134801-00-6 structure
Product Name:1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-methyl-
CAS No:134801-00-6
MF:C10H10N2O2
MW:190.198602199554
CID:1236874
Update Time:2024-08-03

1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-methyl-
    • Inchi: 1S/C10H10N2O2/c1-6-2-3-7-8(4-6)12-10(14)5-9(13)11-7/h2-4H,5H2,1H3,(H,11,13)(H,12,14)
    • InChI Key: AOLBTEWXRLZBCL-UHFFFAOYSA-N
    • SMILES: N1C2=CC=C(C)C=C2NC(=O)CC1=O

Computed Properties

  • Exact Mass: 190.0743

Experimental Properties

  • Density: 1.224±0.06 g/cm3(Predicted)
  • Melting Point: >350 °C
  • Boiling Point: 456.3±45.0 °C(Predicted)
  • PSA: 58.2
  • pka: 7.30±0.20(Predicted)
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