ChemSpider 2D Image | 3-[4-({[6-(Dimethylamino)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile | C16H18N8

3-[4-({[6-(Dimethylamino)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

  • Molecular FormulaC16H18N8
  • Average mass322.368 Da
  • Monoisotopic mass322.165436 Da
  • ChemSpider ID35259854

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-1-propanenitrile, 4-[[[6-(dimethylamino)-3-pyridinyl]methyl]amino]- [ACD/Index Name]
3-[4-({[6-(Dimethylamino)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile [ACD/IUPAC Name]
3-[4-({[6-(Diméthylamino)-3-pyridinyl]méthyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile [French] [ACD/IUPAC Name]
3-[4-({[6-(Dimethylamino)-3-pyridinyl]methyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]propannitril [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: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.688
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.72
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 151.07
Polar Surface Area: 96 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 244.8±7.0 cm3

Click to predict properties on the Chemicalize site


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