ChemSpider 2D Image | 9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile | C14H10F2N6

9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile

  • Molecular FormulaC14H10F2N6
  • Average mass300.266 Da
  • Monoisotopic mass300.093506 Da
  • ChemSpider ID24631113

More details:

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

9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile
9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-carbonitrile [ACD/IUPAC Name]
9-(3,5-Difluorophényl)-6-(éthylamino)-9H-purine-2-carbonitrile [French] [ACD/IUPAC Name]
9-(3,5-Difluorphenyl)-6-(ethylamino)-9H-purin-2-carbonitril [German] [ACD/IUPAC Name]
9H-Purine-2-carbonitrile, 9-(3,5-difluorophenyl)-6-(ethylamino)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.96
ACD/KOC (pH 5.5): 205.60
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.96
ACD/KOC (pH 7.4): 205.60
Polar Surface Area: 79 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

Click to predict properties on the Chemicalize site


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