ChemSpider 2D Image | 4'-[(Methyl{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}amino)methyl]-2-biphenylcarbonitrile | C25H23N5

4'-[(Methyl{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}amino)methyl]-2-biphenylcarbonitrile

  • Molecular FormulaC25H23N5
  • Average mass393.484 Da
  • Monoisotopic mass393.195343 Da
  • ChemSpider ID22356904

More details:

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

[1,1'-Biphenyl]-2-carbonitrile, 4'-[[methyl[1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]- [ACD/Index Name]
4'-[(Methyl{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}amino)methyl]-2-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-[(Methyl{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}amino)methyl]-2-biphenylcarbonitrile [ACD/IUPAC Name]
4'-[(Méthyl{1-[4-(1H-1,2,4-triazol-1-yl)phényl]éthyl}amino)méthyl]-2-biphénylcarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 13.16
ACD/KOC (pH 5.5): 72.00
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 405.60
ACD/KOC (pH 7.4): 2219.65
Polar Surface Area: 58 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 346.8±7.0 cm3

Click to predict properties on the Chemicalize site


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