ChemSpider 2D Image | 1-(2-Chloroethyl)-3-(2H-1,2,3-triazol-4-yl)urea | C5H8ClN5O

1-(2-Chloroethyl)-3-(2H-1,2,3-triazol-4-yl)urea

  • Molecular FormulaC5H8ClN5O
  • Average mass189.603 Da
  • Monoisotopic mass189.041733 Da
  • ChemSpider ID32230580

More details:

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

1-(2-Chlorethyl)-3-(2H-1,2,3-triazol-4-yl)harnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-(2H-1,2,3-triazol-4-yl)urea [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-(2H-1,2,3-triazol-4-yl)urée [French] [ACD/IUPAC Name]
Urea, N-(2-chloroethyl)-N'-2H-1,2,3-triazol-4-yl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.7±26.8 °C
Index of Refraction: 1.632
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.59
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.64
Polar Surface Area: 83 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 124.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement