Cas no 105931-94-0 (1H-1,5-Benzodiazepine-1-carboxamide,2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo-)

1H-1,5-Benzodiazepine-1-carboxamide,2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo- structure
105931-94-0 structure
Product Name:1H-1,5-Benzodiazepine-1-carboxamide,2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo-
CAS No:105931-94-0
MF:C13H17N3O2
MW:247.292982816696
CID:1166607
Update Time:2024-07-26

1H-1,5-Benzodiazepine-1-carboxamide,2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,5-Benzodiazepine-1-carboxamide,2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo-
    • 1H-1,5-Benzodiazepine-1-carboxamide, 2,3,4,5-tetrahydro-5-(1-methylethyl)-4-oxo-
    • Inchi： 1S/C13H17N3O2/c1-9(2)16-11-6-4-3-5-10(11)15(13(14)18)8-7-12(16)17/h3-6,9H,7-8H2,1-2H3,(H2,14,18)
    • InChI Key： FDGQWZYFGRHMJT-UHFFFAOYSA-N
    • SMILES： N1(C(N)=O)C2=CC=CC=C2N(C(C)C)C(=O)CC1

Computed Properties

  • Exact Mass: 247.13221

Experimental Properties

  • Density: 1.217±0.06 g/cm3(Predicted)
  • Melting Point: 217-219 °C(Solv: benzene (71-43-2))
  • Boiling Point: 469.0±55.0 °C(Predicted)
  • PSA: 66.64
  • pka: 14.07±0.20(Predicted)

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