ChemSpider 2D Image | 9-Ethyl-6-{4-[2-(trifluoromethyl)benzyl]-1-piperazinyl}-9H-purine | C19H21F3N6

9-Ethyl-6-{4-[2-(trifluoromethyl)benzyl]-1-piperazinyl}-9H-purine

  • Molecular FormulaC19H21F3N6
  • Average mass390.405 Da
  • Monoisotopic mass390.177979 Da
  • ChemSpider ID114918418

More details:

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

9-Ethyl-6-{4-[2-(trifluormethyl)benzyl]-1-piperazinyl}-9H-purin [German] [ACD/IUPAC Name]
9-Ethyl-6-{4-[2-(trifluoromethyl)benzyl]-1-piperazinyl}-9H-purine [ACD/IUPAC Name]
9-Éthyl-6-{4-[2-(trifluorométhyl)benzyl]-1-pipérazinyl}-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]- [ACD/Index Name]
2741926-22-5 [RN]
9-ethyl-6-(4-{[2-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)-9H-purine
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 47.45
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 105.44
ACD/KOC (pH 7.4): 910.14
Polar Surface Area: 50 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 284.0±7.0 cm3

Click to predict properties on the Chemicalize site


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