ChemSpider 2D Image | Methyl 3,4-diamino-5-nitrobenzoate | C8H9N3O4

Methyl 3,4-diamino-5-nitrobenzoate

  • Molecular FormulaC8H9N3O4
  • Average mass211.175 Da
  • Monoisotopic mass211.059311 Da
  • ChemSpider ID32779838

More details:

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

3,4-Diamino-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-diamino-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3,4-diamino-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-3,4-diamino-5-nitrobenzoat [German] [ACD/IUPAC Name]
54226-23-2 [RN]
MFCD25964400

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 481.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 244.9±27.3 °C
    Index of Refraction: 1.660
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.20
    ACD/KOC (pH 5.5): 196.21
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.20
    ACD/KOC (pH 7.4): 196.21
    Polar Surface Area: 124 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 72.4±3.0 dyne/cm
    Molar Volume: 143.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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