ChemSpider 2D Image | 4-[(4-Anilino-2-pyrimidinyl)amino]benzoic acid | C17H14N4O2

4-[(4-Anilino-2-pyrimidinyl)amino]benzoic acid

  • Molecular FormulaC17H14N4O2
  • Average mass306.319 Da
  • Monoisotopic mass306.111664 Da
  • ChemSpider ID28643353

More details:

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

4-[(4-Anilino-2-pyrimidinyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-Anilino-2-pyrimidinyl)amino]benzoic acid [ACD/IUPAC Name]
4-{[4-(Phenylamino)pyrimidin-2-Yl]amino}benzoic Acid
Acide 4-[(4-anilino-2-pyrimidinyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-(phenylamino)-2-pyrimidinyl]amino]- [ACD/Index Name]
0BX
1036705-74-4 [RN]
Bisanilinopyrimidine inhibitor, 1
Bisanilinopyrimidine, 3h

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.2±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.4±31.8 °C
Index of Refraction: 1.731
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 31.69
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 87 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

Click to predict properties on the Chemicalize site


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