ChemSpider 2D Image | 1,3-Bis[2-(1H-1,2,4-triazol-1-ylmethyl)benzyl]urea | C21H22N8O

1,3-Bis[2-(1H-1,2,4-triazol-1-ylmethyl)benzyl]urea

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID30521222

More details:

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

1,3-Bis[2-(1H-1,2,4-triazol-1-ylmethyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
1,3-Bis[2-(1H-1,2,4-triazol-1-ylmethyl)benzyl]urea [ACD/IUPAC Name]
1,3-Bis[2-(1H-1,2,4-triazol-1-ylméthyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N,N'-bis[[2-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 146.01
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 146.72
Polar Surface Area: 103 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement