ChemSpider 2D Image | 9-Cyclopentyl-6-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}-9H-purine | C21H23F3N6

9-Cyclopentyl-6-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}-9H-purine

  • Molecular FormulaC21H23F3N6
  • Average mass416.443 Da
  • Monoisotopic mass416.193634 Da
  • ChemSpider ID58124789

More details:

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

9-Cyclopentyl-6-{4-[4-(trifluormethyl)phenyl]-1-piperazinyl}-9H-purin [German] [ACD/IUPAC Name]
9-Cyclopentyl-6-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}-9H-purine [ACD/IUPAC Name]
9-Cyclopentyl-6-{4-[4-(trifluorométhyl)phényl]-1-pipérazinyl}-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-cyclopentyl-6-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 119.87
ACD/KOC (pH 5.5): 466.57
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1803.94
ACD/KOC (pH 7.4): 7021.71
Polar Surface Area: 50 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 288.4±7.0 cm3

Click to predict properties on the Chemicalize site


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