ChemSpider 2D Image | 3,5-Bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile | C23H25N5

3,5-Bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile

  • Molecular FormulaC23H25N5
  • Average mass371.478 Da
  • Monoisotopic mass371.210999 Da
  • ChemSpider ID29412679

More details:






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

3,5-Bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitril [German] [ACD/IUPAC Name]
3,5-Bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]benzonitrile [ACD/IUPAC Name]
3,5-Bis[2-(6-amino-4-méthyl-2-pyridinyl)éthyl]benzonitrile [French] [ACD/IUPAC Name]
3,5-Bis[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]benzonitrile
Benzonitrile, 3,5-bis[2-(6-amino-4-methyl-2-pyridinyl)ethyl]- [ACD/Index Name]
10.1021/jm4000984
1EV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 567.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 156.25
ACD/KOC (pH 7.4): 876.52
Polar Surface Area: 102 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 307.8±5.0 cm3

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