ChemSpider 2D Image | 3-(2-Amino-5-pyrimidinyl)benzoic acid | C11H9N3O2

3-(2-Amino-5-pyrimidinyl)benzoic acid

  • Molecular FormulaC11H9N3O2
  • Average mass215.208 Da
  • Monoisotopic mass215.069473 Da
  • ChemSpider ID21521285

More details:

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

3-(2-Amino-5-pyrimidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-(2-Amino-5-pyrimidinyl)benzoic acid [ACD/IUPAC Name]
3-(2-Aminopyrimidin-5-yl)benzoic acid
914349-45-4 [RN]
Acide 3-(2-amino-5-pyrimidinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(2-amino-5-pyrimidinyl)- [ACD/Index Name]
[914349-45-4] [RN]
3-(2-Aminopyrimidin-5-Yl)benzoic acid (en)
3-(2-Aminopyrimidin-5-yl)benzoicacid
BR-17712
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 552.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±3.0 kJ/mol
    Flash Point: 288.1±32.9 °C
    Index of Refraction: 1.669
    Molar Refractivity: 58.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.74
    ACD/LogD (pH 7.4): -1.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 73.6±3.0 dyne/cm
    Molar Volume: 156.0±3.0 cm3

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