ChemSpider 2D Image | 6-(Cyclohexylmethoxy)-8-(trifluoromethyl)-3H-purin-2-amine | C13H16F3N5O

6-(Cyclohexylmethoxy)-8-(trifluoromethyl)-3H-purin-2-amine

  • Molecular FormulaC13H16F3N5O
  • Average mass315.294 Da
  • Monoisotopic mass315.130707 Da
  • ChemSpider ID31135598

More details:






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

6-(Cyclohexylmethoxy)-8-(trifluormethyl)-3H-purin-2-amin [German] [ACD/IUPAC Name]
6-(Cyclohexylmethoxy)-8-(trifluoromethyl)-3H-purin-2-amine [ACD/IUPAC Name]
6-(Cyclohexylméthoxy)-8-(trifluorométhyl)-3H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)- [ACD/Index Name]
JYM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 509.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 101.57
ACD/KOC (pH 5.5): 888.52
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 6.93
ACD/KOC (pH 7.4): 60.65
Polar Surface Area: 90 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site






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