ChemSpider 2D Image | 6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine | C29H30F3N5

6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC29H30F3N5
  • Average mass505.577 Da
  • Monoisotopic mass505.245331 Da
  • ChemSpider ID121596776

More details:

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

4-Pyrimidinamine, 6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-methyl-N-[4-(trifluormethyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-2-méthyl-N-[4-(trifluorométhyl)phényl]-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: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.3±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 9819.69
ACD/KOC (pH 5.5): 11022.51
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 144249.67
ACD/KOC (pH 7.4): 161918.94
Polar Surface Area: 57 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 386.3±3.0 cm3

Click to predict properties on the Chemicalize site


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