ChemSpider 2D Image | 6-(1-Azepanyl)-N,N-dicyclohexyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine | C32H48N4

6-(1-Azepanyl)-N,N-dicyclohexyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC32H48N4
  • Average mass488.750 Da
  • Monoisotopic mass488.387909 Da
  • ChemSpider ID121235528

More details:

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

4-Pyrimidinamine, N,N-dicyclohexyl-2-[4-(1,1-dimethylethyl)phenyl]-6-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
6-(1-Azepanyl)-N,N-dicyclohexyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Azepanyl)-N,N-dicyclohexyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N,N-dicyclohexyl-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.66
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 24017.30
ACD/KOC (pH 5.5): 15879.09
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 676413.25
ACD/KOC (pH 7.4): 447212.22
Polar Surface Area: 32 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

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