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

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

  • Molecular FormulaC22H23ClN6
  • Average mass406.911 Da
  • Monoisotopic mass406.167267 Da
  • ChemSpider ID29253889

More details:

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

2-Benzyl-4-(4-chlorophenyl)-N6-isobutyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [ACD/IUPAC Name]
2-Benzyl-4-(4-chlorophényl)-N6-isobutyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [French] [ACD/IUPAC Name]
2-Benzyl-4-(4-chlorphenyl)-N6-isobutyl-2H-pyrazolo[3,4-d]pyrimidin-3,6-diamin [German] [ACD/IUPAC Name]
2H-Pyrazolo[3,4-d]pyrimidine-3,6-diamine, 4-(4-chlorophenyl)-N6-(2-methylpropyl)-2-(phenylmethyl)- [ACD/Index 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: 663.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 359.41
ACD/KOC (pH 5.5): 1366.08
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2254.86
ACD/KOC (pH 7.4): 8570.44
Polar Surface Area: 82 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site


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