ChemSpider 2D Image | 2,2'-{4-[4-(2-Methyl-2-propanyl)phenyl]-4H-1,2,4-triazole-3,5-diyl}dipyridine | C22H21N5

2,2'-{4-[4-(2-Methyl-2-propanyl)phenyl]-4H-1,2,4-triazole-3,5-diyl}dipyridine

  • Molecular FormulaC22H21N5
  • Average mass355.436 Da
  • Monoisotopic mass355.179688 Da
  • ChemSpider ID21130729

More details:

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

2,2'-{4-[4-(2-Methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3,5-diyl}dipyridin [German] [ACD/IUPAC Name]
2,2'-{4-[4-(2-Methyl-2-propanyl)phenyl]-4H-1,2,4-triazole-3,5-diyl}dipyridine [ACD/IUPAC Name]
2,2'-{4-[4-(2-Méthyl-2-propanyl)phényl]-4H-1,2,4-triazole-3,5-diyl}dipyridine [French] [ACD/IUPAC Name]
Pyridine, 2,2'-[4-[4-(1,1-dimethylethyl)phenyl]-4H-1,2,4-triazole-3,5-diyl]bis- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.2±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2598.07
ACD/KOC (pH 5.5): 9678.36
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2598.08
ACD/KOC (pH 7.4): 9678.41
Polar Surface Area: 56 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 305.0±7.0 cm3

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