ChemSpider 2D Image | N~4~-(3-Chloro-4-fluorophenyl)-N~6~-(2-fluorobenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | C19H15ClF2N6

N4-(3-Chloro-4-fluorophenyl)-N6-(2-fluorobenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

  • Molecular FormulaC19H15ClF2N6
  • Average mass400.812 Da
  • Monoisotopic mass400.101471 Da
  • ChemSpider ID124380970

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N4-(3-chloro-4-fluorophenyl)-N6-[(2-fluorophenyl)methyl]-1-methyl- [ACD/Index Name]
N4-(3-Chlor-4-fluorphenyl)-N6-(2-fluorbenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4,6-diamin [German] [ACD/IUPAC Name]
N4-(3-Chloro-4-fluorophenyl)-N6-(2-fluorobenzyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [ACD/IUPAC Name]
N4-(3-Chloro-4-fluorophényl)-N6-(2-fluorobenzyl)-1-méthyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [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: 598.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2099.30
ACD/KOC (pH 5.5): 8248.17
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2153.37
ACD/KOC (pH 7.4): 8460.63
Polar Surface Area: 68 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

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