ChemSpider 2D Image | 2-{1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazol-4-yl}ethanamine | C9H13ClN6

2-{1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazol-4-yl}ethanamine

  • Molecular FormulaC9H13ClN6
  • Average mass240.693 Da
  • Monoisotopic mass240.089020 Da
  • ChemSpider ID43951225

More details:

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

1H-1,2,3-Triazole-4-ethanamine, 1-[(5-chloro-1-methyl-1H-imidazol-2-yl)methyl]- [ACD/Index Name]
2-{1-[(5-Chlor-1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazol-4-yl}ethanamin [German] [ACD/IUPAC Name]
2-{1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazol-4-yl}ethanamine [ACD/IUPAC Name]
2-{1-[(5-Chloro-1-méthyl-1H-imidazol-2-yl)méthyl]-1H-1,2,3-triazol-4-yl}éthanamine [French] [ACD/IUPAC 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: 481.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.9±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 75 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 161.4±7.0 cm3

Click to predict properties on the Chemicalize site


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