ChemSpider 2D Image | 6-(1-Azepanyl)-N-benzyl-N-isopropyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine | C30H40N4

6-(1-Azepanyl)-N-benzyl-N-isopropyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC30H40N4
  • Average mass456.665 Da
  • Monoisotopic mass456.325287 Da
  • ChemSpider ID121221966

More details:

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

4-Pyrimidinamine, 2-[4-(1,1-dimethylethyl)phenyl]-6-(hexahydro-1H-azepin-1-yl)-N-(1-methylethyl)-N-(phenylmethyl)- [ACD/Index Name]
6-(1-Azepanyl)-N-benzyl-N-isopropyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Azepanyl)-N-benzyl-N-isopropyl-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N-benzyl-N-isopropyl-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: 556.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 4255.58
ACD/KOC (pH 5.5): 4684.60
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 115918.74
ACD/KOC (pH 7.4): 127604.77
Polar Surface Area: 32 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 429.9±3.0 cm3

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