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
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-YLAMINO)BENZOIC ACID ,95+%
4-[(pyrimidin-2-yl)amino]benzoic acid
920287-46-3 [RN]
AGN-PC-056MPN
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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