ChemSpider 2D Image | N-(4-Chloro-3-fluorophenyl)-9-ethyl-9H-purin-6-amine | C13H11ClFN5

N-(4-Chloro-3-fluorophenyl)-9-ethyl-9H-purin-6-amine

  • Molecular FormulaC13H11ClFN5
  • Average mass291.711 Da
  • Monoisotopic mass291.068695 Da
  • ChemSpider ID114878301

More details:

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

9H-Purin-6-amine, N-(4-chloro-3-fluorophenyl)-9-ethyl- [ACD/Index Name]
N-(4-Chlor-3-fluorphenyl)-9-ethyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophenyl)-9-ethyl-9H-purin-6-amine [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophényl)-9-éthyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
2640828-51-7 [RN]
N-(4-chloro-3-fluorophenyl)-9-ethylpurin-6-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 465.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 235.0±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.59
ACD/KOC (pH 5.5): 3371.17
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 596.19
ACD/KOC (pH 7.4): 3374.59
Polar Surface Area: 56 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 197.4±7.0 cm3

Click to predict properties on the Chemicalize site


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