ChemSpider 2D Image | 4-(3-Chlorophenyl)-N~6~-isobutyl-2-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | C22H23ClN6

4-(3-Chlorophenyl)-N6-isobutyl-2-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

  • Molecular FormulaC22H23ClN6
  • Average mass406.911 Da
  • Monoisotopic mass406.167267 Da
  • ChemSpider ID22619286

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-3,6-diamine, 4-(3-chlorophenyl)-2-(3-methylphenyl)-N6-(2-methylpropyl)- [ACD/Index Name]
4-(3-Chlorophenyl)-N6-isobutyl-2-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [ACD/IUPAC Name]
4-(3-Chlorophényl)-N6-isobutyl-2-(3-méthylphényl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [French] [ACD/IUPAC Name]
4-(3-Chlorphenyl)-N6-isobutyl-2-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3,6-diamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.3±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: 1.683
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3287.08
ACD/KOC (pH 5.5): 11174.87
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3580.24
ACD/KOC (pH 7.4): 12171.49
Polar Surface Area: 82 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

Click to predict properties on the Chemicalize site


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