ChemSpider 2D Image | 1-Methyl(~2~H_3_)-1H-imidazole | C4H3D3N2

1-Methyl(2H3)-1H-imidazole

  • Molecular FormulaC4H3D3N2
  • Average mass85.122 Da
  • Monoisotopic mass85.071930 Da
  • ChemSpider ID24532160
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-Imidazole-2,4,5-d3, 1-methyl- [ACD/Index Name]
1-Methyl(2H3)-1H-imidazol [German] [ACD/IUPAC Name]
1-Methyl(2H3)-1H-imidazole [ACD/IUPAC Name]
1-Méthyl(2H3)-1H-imidazole [French] [ACD/IUPAC Name]
1-Methylimidazole-d3 (ring-d3)
4166-68-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 198.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 92.2±0.0 °C
Index of Refraction: 1.525
Molar Refractivity: 25.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.87
Polar Surface Area: 18 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 35.0±7.0 dyne/cm
Molar Volume: 82.4±7.0 cm3

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