ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C13H11ClFN5

N-(3-Chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC13H11ClFN5
  • Average mass291.711 Da
  • Monoisotopic mass291.069000 Da
  • ChemSpider ID25203501

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-(3-chloro-4-fluorophenyl)-1,3-dimethyl- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-1,3-diméthyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 454.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±0.0 kJ/mol
Flash Point: 228.5±0.0 °C
Index of Refraction: 1.690
Molar Refractivity: 75.1±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.35
ACD/KOC (pH 5.5): 1381.20
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.37
ACD/KOC (pH 7.4): 1405.41
Polar Surface Area: 56 Å2
Polarizability: 29.8±0.0 10-24cm3
Surface Tension: 48.7±0.0 dyne/cm
Molar Volume: 196.5±0.0 cm3

Click to predict properties on the Chemicalize site


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