ChemSpider 2D Image | 7-Amino-1-(~2~H_3_)methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12D3N3O

7-Amino-1-(2H3)methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12D3N3O
  • Average mass268.328 Da
  • Monoisotopic mass268.140350 Da
  • ChemSpider ID48057375

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-1,4-Benzodiazepin-2-one, 7-amino-1,3-dihydro-1-(methyl-d3)-5-phenyl- [ACD/Index Name]
7-Amino-1-(2H3)methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Amino-1-(2H3)methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Amino-1-(2H3)méthyl-5-phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
1346603-85-7 [RN]
7-amino-5-phenyl-1-(trideuteriomethyl)-3H-1,4-benzodiazepin-2-one

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 540.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 280.4±30.1 °C
    Index of Refraction: 1.654
    Molar Refractivity: 78.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.49
    ACD/KOC (pH 5.5): 130.55
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 6.88
    ACD/KOC (pH 7.4): 138.35
    Polar Surface Area: 59 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 49.9±7.0 dyne/cm
    Molar Volume: 213.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement