ChemSpider 2D Image | 4-(~2~H_3_)Methyl-1,2-(~2~H_3_)benzenediamine | C7H4D6N2

4-(2H3)Methyl-1,2-(2H3)benzenediamine

  • Molecular FormulaC7H4D6N2
  • Average mass128.205 Da
  • Monoisotopic mass128.122055 Da
  • ChemSpider ID58778958

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-3,4,6-d3-diamine, 5-(methyl-d3)- [ACD/Index Name]
4-(2H3)Methyl-1,2-(2H3)benzenediamine [ACD/IUPAC Name]
4-(2H3)Méthyl-1,2-(2H3)benzènediamine [French] [ACD/IUPAC Name]
4-(2H3)Methyl-1,2-(2H3)benzoldiamin [German] [ACD/IUPAC Name]
1246820-57-4 [RN]
3,4,6-trideuterio-5-(trideuteriomethyl)benzene-1,2-diamine
3,4-diaminotoluene-d6

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 262.3±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 132.1±21.3 °C
    Index of Refraction: 1.636
    Molar Refractivity: 39.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 4
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.52
    ACD/KOC (pH 5.5): 44.73
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.79
    ACD/KOC (pH 7.4): 52.87
    Polar Surface Area: 52 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 110.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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