ChemSpider 2D Image | N'-(4-Bromo-2-fluorophenyl)-N-(3,4-dimethoxyphenyl)-N-methyl-2-propyl-4,6-pyrimidinediamine | C22H24BrFN4O2

N'-(4-Bromo-2-fluorophenyl)-N-(3,4-dimethoxyphenyl)-N-methyl-2-propyl-4,6-pyrimidinediamine

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID121514531

More details:

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

4,6-Pyrimidinediamine, N6-(4-bromo-2-fluorophenyl)-N4-(3,4-dimethoxyphenyl)-N4-methyl-2-propyl- [ACD/Index Name]
N'-(4-Brom-2-fluorphenyl)-N-(3,4-dimethoxyphenyl)-N-methyl-2-propyl-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N'-(4-Bromo-2-fluorophenyl)-N-(3,4-dimethoxyphenyl)-N-methyl-2-propyl-4,6-pyrimidinediamine [ACD/IUPAC Name]
N'-(4-Bromo-2-fluorophényl)-N-(3,4-diméthoxyphényl)-N-méthyl-2-propyl-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2029.31
ACD/KOC (pH 5.5): 4504.78
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14746.70
ACD/KOC (pH 7.4): 32735.61
Polar Surface Area: 60 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

Click to predict properties on the Chemicalize site


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