ChemSpider 2D Image | 2-({2-[(2-Aminocyclohexyl)amino]-4-pyrimidinyl}amino)benzoic acid | C17H21N5O2

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

  • Molecular FormulaC17H21N5O2
  • Average mass327.381 Da
  • Monoisotopic mass327.169525 Da
  • ChemSpider ID24808877

More details:

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

2-({2-[(2-Aminocyclohexyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(2-Aminocyclohexyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 2-({2-[(2-aminocyclohexyl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(2-aminocyclohexyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
Kinome_1251

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.9±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 113 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

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