ChemSpider 2D Image | 3-{4-[(Chloromethoxy)methyl]-1H-1,2,3-triazol-1-yl}-1H-1,2,4-triazol-5-amine | C6H8ClN7O

3-{4-[(Chloromethoxy)methyl]-1H-1,2,3-triazol-1-yl}-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC6H8ClN7O
  • Average mass229.627 Da
  • Monoisotopic mass229.047882 Da
  • ChemSpider ID83079216

More details:






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

1H-1,2,4-Triazol-5-amine, 3-[4-[(chloromethoxy)methyl]-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]
3-{4-[(Chlormethoxy)methyl]-1H-1,2,3-triazol-1-yl}-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-{4-[(Chloromethoxy)methyl]-1H-1,2,3-triazol-1-yl}-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-{4-[(Chlorométhoxy)méthyl]-1H-1,2,3-triazol-1-yl}-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 545.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.8±30.9 °C
Index of Refraction: 1.828
Molar Refractivity: 52.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.50
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.12
Polar Surface Area: 108 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 119.1±7.0 cm3

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