ChemSpider 2D Image | 6-Chloro-8-(4,4,4-trifluorobutyl)-7H-purin-2-amine | C9H9ClF3N5

6-Chloro-8-(4,4,4-trifluorobutyl)-7H-purin-2-amine

  • Molecular FormulaC9H9ClF3N5
  • Average mass279.650 Da
  • Monoisotopic mass279.049866 Da
  • ChemSpider ID96194119

More details:

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

6-Chlor-8-(4,4,4-trifluorbutyl)-7H-purin-2-amin [German] [ACD/IUPAC Name]
6-Chloro-8-(4,4,4-trifluorobutyl)-7H-purin-2-amine [ACD/IUPAC Name]
6-Chloro-8-(4,4,4-trifluorobutyl)-7H-purin-2-amine [French] [ACD/IUPAC Name]
7H-Purin-2-amine, 6-chloro-8-(4,4,4-trifluorobutyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 505.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.49
ACD/KOC (pH 5.5): 247.30
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.07
ACD/KOC (pH 7.4): 240.54
Polar Surface Area: 80 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 178.0±3.0 cm3

Click to predict properties on the Chemicalize site


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