ChemSpider 2D Image | MFCD00057322 | C16H9D5ClN3O

MFCD00057322

  • Molecular FormulaC16H9D5ClN3O
  • Average mass304.786 Da
  • Monoisotopic mass304.113922 Da
  • ChemSpider ID23935635

  • Non-standard isotope - Non-standard isotope

More details:

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

200-659-6 [EINECS]
3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(phenyl-d5)-, 4-oxide [ACD/Index Name]
4-Oxyde de 7-chloro-N-méthyl-5-(2H5)phényl-3H-1,4-benzodiazépin-2-amine [French] [ACD/IUPAC Name]
65891-81-8 [RN]
7-Chlor-N-methyl-5-(2H5)phenyl-3H-1,4-benzodiazepin-2-amin-4-oxid [German] [ACD/IUPAC Name]
7-Chloro-N-methyl-5-(2H5)phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide [ACD/IUPAC Name]
MFCD00057322
7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine 4-Oxide
Chlordiazepoxide-D5
Chlordiazepoxide-d5 (phenyl-d5)
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 549.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±3.0 kJ/mol
    Flash Point: 285.9±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 84.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.35
    ACD/KOC (pH 5.5): 455.52
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.38
    ACD/KOC (pH 7.4): 455.92
    Polar Surface Area: 53 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 230.6±7.0 cm3

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