ChemSpider 2D Image | N,N-Dicyclohexyl-2-ethyl-6-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-pyrimidinamine | C32H48N4

N,N-Dicyclohexyl-2-ethyl-6-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-pyrimidinamine

  • Molecular FormulaC32H48N4
  • Average mass488.750 Da
  • Monoisotopic mass488.387909 Da
  • ChemSpider ID121798839

More details:

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

4-Pyrimidinamine, N,N-dicyclohexyl-6-[3,4-dihydro-6-methyl-1-(2-methylpropyl)-2(1H)-isoquinolinyl]-2-ethyl- [ACD/Index Name]
N,N-Dicyclohexyl-2-ethyl-6-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isochinolinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N,N-Dicyclohexyl-2-éthyl-6-(1-isobutyl-6-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N,N-Dicyclohexyl-2-ethyl-6-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-4-pyrimidinamine [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: 637.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 46754.93
ACD/KOC (pH 5.5): 30970.63
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 860459.69
ACD/KOC (pH 7.4): 569971.56
Polar Surface Area: 32 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 461.0±3.0 cm3

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