ChemSpider 2D Image | 1-(3,4-Dimethylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C25H21N5O

1-(3,4-Dimethylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC25H21N5O
  • Average mass407.467 Da
  • Monoisotopic mass407.174622 Da
  • ChemSpider ID22219573

More details:

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

1-(3,4-Dimethylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-(3,4-Diméthylphényl)-N-(4-phénoxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(3,4-dimethylphenyl)-N-(4-phenoxyphenyl)- [ACD/Index Name]
[1-(3,4-Dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-(4-phenoxy-phenyl)-amine
1-(3,4-dimethylphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
890886-33-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4788.17
ACD/KOC (pH 5.5): 14947.37
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4837.97
ACD/KOC (pH 7.4): 15102.82
Polar Surface Area: 65 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

Click to predict properties on the Chemicalize site


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