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

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

  • Molecular FormulaC13H11ClFN5
  • Average mass291.711 Da
  • Monoisotopic mass291.068695 Da
  • ChemSpider ID40609196

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)methyl]-1-methyl- [ACD/Index Name]
N-(3-Chlor-4-fluorbenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorobenzyl)-1-méthyl-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±0.1 g/cm3
Boiling Point: 464.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.7±27.3 °C
Index of Refraction: 1.688
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.63
ACD/KOC (pH 5.5): 889.41
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.39
ACD/KOC (pH 7.4): 915.63
Polar Surface Area: 56 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 197.4±7.0 cm3

Click to predict properties on the Chemicalize site


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