ChemSpider 2D Image | 4-(2-Pyrimidinylamino)benzoic acid | C11H9N3O2

4-(2-Pyrimidinylamino)benzoic acid

  • Molecular FormulaC11H9N3O2
  • Average mass215.208 Da
  • Monoisotopic mass215.069473 Da
  • ChemSpider ID22252194

More details:

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

4-(2-Pyrimidinylamino)benzoesäure [German] [ACD/IUPAC Name]
4-(2-Pyrimidinylamino)benzoic acid [ACD/IUPAC Name]
4-(pyrimidin-2-ylamino)benzoic acid
920287-46-3 [RN]
Acide 4-(2-pyrimidinylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-pyrimidinylamino)- [ACD/Index Name]
4-(Pyrimidin-2-ylamino)-benzoic acid
4-[(pyrimidin-2-yl)amino]benzoic acid
AGN-PC-056MPN
BB_NC-2121
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 453.1±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 227.8±29.3 °C
    Index of Refraction: 1.686
    Molar Refractivity: 58.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.03
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 1.74
    ACD/KOC (pH 5.5): 24.99
    ACD/LogD (pH 7.4): -0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 72.7±3.0 dyne/cm
    Molar Volume: 154.5±3.0 cm3

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