ChemSpider 2D Image | 2-({2-[(3-Methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid | C18H16N4O2

2-({2-[(3-Methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid

  • Molecular FormulaC18H16N4O2
  • Average mass320.345 Da
  • Monoisotopic mass320.127319 Da
  • ChemSpider ID23287553

More details:

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

2-({2-[(3-Methylphenyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(3-Methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
2-({2-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Acide 2-({2-[(3-méthylphényl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(3-methylphenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(m-toluidino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 8h
Kinome_1254

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±32.9 °C
Index of Refraction: 1.714
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 16.67
ACD/KOC (pH 5.5): 60.92
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 10.90
Polar Surface Area: 87 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

Click to predict properties on the Chemicalize site


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