ChemSpider 2D Image | 6-(1-Azepanyl)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylphenyl)-4-pyrimidinamine | C25H24F6N4

6-(1-Azepanyl)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylphenyl)-4-pyrimidinamine

  • Molecular FormulaC25H24F6N4
  • Average mass494.475 Da
  • Monoisotopic mass494.190521 Da
  • ChemSpider ID67829167

More details:

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

4-Pyrimidinamine, N-[3,5-bis(trifluoromethyl)phenyl]-6-(hexahydro-1H-azepin-1-yl)-2-(3-methylphenyl)- [ACD/Index Name]
6-(1-Azepanyl)-N-[3,5-bis(trifluormethyl)phenyl]-2-(3-methylphenyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Azepanyl)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylphenyl)-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N-[3,5-bis(trifluorométhyl)phényl]-2-(3-méthylphényl)-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 473.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.2±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 4152.92
ACD/KOC (pH 5.5): 5571.18
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 73020.34
ACD/KOC (pH 7.4): 97957.43
Polar Surface Area: 41 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

Click to predict properties on the Chemicalize site


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