ChemSpider 2D Image | 2-({2-[(3-Hydroxybenzyl)amino]-4-pyrimidinyl}amino)benzoic acid | C18H16N4O3

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

  • Molecular FormulaC18H16N4O3
  • Average mass336.345 Da
  • Monoisotopic mass336.122253 Da
  • ChemSpider ID24808879

More details:

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

2-({2-[(3-Hydroxybenzyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(3-Hydroxybenzyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 2-({2-[(3-hydroxybenzyl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[(3-hydroxyphenyl)methyl]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
Kinome_1249

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 343.8±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 20.32
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.14
Polar Surface Area: 107 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

Click to predict properties on the Chemicalize site


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