ChemSpider 2D Image | 6-{[2-(4-Fluorophenoxy)ethyl](methyl)amino}-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C14H14FN5O2

6-{[2-(4-Fluorophenoxy)ethyl](methyl)amino}-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC14H14FN5O2
  • Average mass303.292 Da
  • Monoisotopic mass303.113159 Da
  • ChemSpider ID35099665

More details:

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

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-[[2-(4-fluorophenoxy)ethyl]methylamino]-1,7-dihydro- [ACD/Index Name]
6-{[2-(4-Fluorophenoxy)ethyl](methyl)amino}-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-{[2-(4-Fluorophénoxy)éthyl](méthyl)amino}-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
6-{[2-(4-Fluorphenoxy)ethyl](methyl)amino}-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC 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: 553.8±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.7±32.3 °C
Index of Refraction: 1.668
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 117.86
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 118.32
Polar Surface Area: 83 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 207.9±7.0 cm3

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