ChemSpider 2D Image | 2-(1H-Imidazol-4-yl)(1,1-~2~H_2_)ethanol | C5H6D2N2O

2-(1H-Imidazol-4-yl)(1,1-2H2)ethanol

  • Molecular FormulaC5H6D2N2O
  • Average mass114.142 Da
  • Monoisotopic mass114.076218 Da
  • ChemSpider ID78057743

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Imidazole-4-ethan-d2-ol [ACD/Index Name]
2-(1H-Imidazol-4-yl)(1,1-2H2)ethanol [German] [ACD/IUPAC Name]
2-(1H-Imidazol-4-yl)(1,1-2H2)ethanol [ACD/IUPAC Name]
2-(1H-Imidazol-4-yl)(1,1-2H2)éthanol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 171.4±20.9 °C
Index of Refraction: 1.568
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 49 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 91.3±3.0 cm3

Click to predict properties on the Chemicalize site


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