ChemSpider 2D Image | 4-(4-Chlorophenyl)-2-(3-methylphenyl)-N~6~-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | C26H23ClN6

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

  • Molecular FormulaC26H23ClN6
  • Average mass454.954 Da
  • Monoisotopic mass454.167267 Da
  • ChemSpider ID22789266

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-3,6-diamine, 4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)- [ACD/Index Name]
4-(4-Chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [ACD/IUPAC Name]
4-(4-Chlorophényl)-2-(3-méthylphényl)-N6-(2-phényléthyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [French] [ACD/IUPAC Name]
4-(4-Chlorphenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-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: 619.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.2±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9348.27
ACD/KOC (pH 5.5): 23749.15
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 9981.06
ACD/KOC (pH 7.4): 25356.73
Polar Surface Area: 82 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 343.0±7.0 cm3

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