ChemSpider 2D Image | 5-Bromo-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-(2-phenoxyphenyl)-2,4-pyrimidinediamine | C22H19BrN6O

5-Bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(2-phenoxyphenyl)-2,4-pyrimidinediamine

  • Molecular FormulaC22H19BrN6O
  • Average mass463.330 Da
  • Monoisotopic mass462.080353 Da
  • ChemSpider ID76730572

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(2-phenoxyphenyl)- [ACD/Index Name]
5-Brom-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(2-phenoxyphenyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(2-phenoxyphenyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Bromo-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(2-phénoxyphényl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.7±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3595.96
ACD/KOC (pH 5.5): 12193.94
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3616.23
ACD/KOC (pH 7.4): 12262.67
Polar Surface Area: 88 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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