ChemSpider 2D Image | 7,7-Dimethyl-3-(2-methyl-2-propanyl)-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one | C22H25N3O

7,7-Dimethyl-3-(2-methyl-2-propanyl)-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one

  • Molecular FormulaC22H25N3O
  • Average mass347.453 Da
  • Monoisotopic mass347.199768 Da
  • ChemSpider ID21134186

More details:

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

5H-Pyrazolo[3,4-b]quinolin-5-one, 3-(1,1-dimethylethyl)-1,6,7,8-tetrahydro-7,7-dimethyl-1-phenyl- [ACD/Index Name]
7,7-Dimethyl-3-(2-methyl-2-propanyl)-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]chinolin-5-on [German] [ACD/IUPAC Name]
7,7-Diméthyl-3-(2-méthyl-2-propanyl)-1-phényl-1,6,7,8-tétrahydro-5H-pyrazolo[3,4-b]quinoléin-5-one [French] [ACD/IUPAC Name]
7,7-Dimethyl-3-(2-methyl-2-propanyl)-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±23.7 °C
Index of Refraction: 1.625
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8824.43
ACD/KOC (pH 5.5): 23220.70
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8827.06
ACD/KOC (pH 7.4): 23227.63
Polar Surface Area: 48 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

Click to predict properties on the Chemicalize site


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