ChemSpider 2D Image | 2-({6-[(3,4-Difluorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)ethanol | C13H12F2N6O

2-({6-[(3,4-Difluorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)ethanol

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID76747716

More details:

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

2-({6-[(3,4-Difluorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)ethanol [ACD/IUPAC Name]
2-({6-[(3,4-Difluorophényl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)éthanol [French] [ACD/IUPAC Name]
2-({6-[(3,4-Difluorphenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[6-[(3,4-difluorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 601.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.07
ACD/KOC (pH 5.5): 193.28
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 197.50
Polar Surface Area: 99 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

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