Cas no 105931-90-6 (2H-1,5-Benzodiazepin-2-one,5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)-)

2H-1,5-Benzodiazepin-2-one,5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)- structure
105931-90-6 structure
Product Name:2H-1,5-Benzodiazepin-2-one,5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)-
CAS No:105931-90-6
MF:C14H18N2O2
MW:246.304923534393
CID:1163622
Update Time:2024-07-26

2H-1,5-Benzodiazepin-2-one,5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2H-1,5-Benzodiazepin-2-one,5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)-
    • 2H-1,5-Benzodiazepin-2-one, 5-acetyl-1,3,4,5-tetrahydro-1-(1-methylethyl)-
    • Inchi: 1S/C14H18N2O2/c1-10(2)16-13-7-5-4-6-12(13)15(11(3)17)9-8-14(16)18/h4-7,10H,8-9H2,1-3H3
    • InChI Key: OUAHQRHHSGYRGL-UHFFFAOYSA-N
    • SMILES: N1(C(C)C)C2=CC=CC=C2N(C(C)=O)CCC1=O

Computed Properties

  • Exact Mass: 246.13694

Experimental Properties

  • Density: 1.140±0.06 g/cm3(Predicted)
  • Melting Point: 123-125 °C(Solv: benzene (71-43-2); hexane (110-54-3))
  • Boiling Point: 512.7±43.0 °C(Predicted)
  • PSA: 40.62
  • pka: 1.09±0.20(Predicted)
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