ChemSpider 2D Image | 3-{[2-(4-Phenyl-1-piperazinyl)-3H-purin-6-yl]amino}benzonitrile | C22H20N8

3-{[2-(4-Phenyl-1-piperazinyl)-3H-purin-6-yl]amino}benzonitrile

  • Molecular FormulaC22H20N8
  • Average mass396.448 Da
  • Monoisotopic mass396.181091 Da
  • ChemSpider ID32083191

More details:

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

3-{[2-(4-Phenyl-1-piperazinyl)-3H-purin-6-yl]amino}benzonitril [German] [ACD/IUPAC Name]
3-{[2-(4-Phenyl-1-piperazinyl)-3H-purin-6-yl]amino}benzonitrile [ACD/IUPAC Name]
3-{[2-(4-Phényl-1-pipérazinyl)-3H-purin-6-yl]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[2-(4-phenyl-1-piperazinyl)-9H-purin-6-yl]amino]- [ACD/Index Name]
1798683-11-0 [RN]
3-[[2-(4-phenylpiperazin-1-yl)-7H-purin-6-yl]amino]benzonitrile
3-[2-(4-Phenyl-piperazin-1-yl)-9H-purin-6-ylamino]-benzonitrile
3-{[2-(4-phenylpiperazin-1-yl)-9H-purin-6-yl]amino}benzonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±35.7 °C
Index of Refraction: 1.755
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 27.11
ACD/KOC (pH 5.5): 264.88
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.00
ACD/KOC (pH 7.4): 830.58
Polar Surface Area: 97 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 277.3±5.0 cm3

Click to predict properties on the Chemicalize site


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