ChemSpider 2D Image | 3-(1H-Imidazol-5-yl)(~2~H_4_)propanoic acid | C6H4D4N2O2

3-(1H-Imidazol-5-yl)(2H4)propanoic acid

  • Molecular FormulaC6H4D4N2O2
  • Average mass144.165 Da
  • Monoisotopic mass144.083679 Da
  • ChemSpider ID107438921

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Imidazole-5-propanoic-d4 acid [ACD/Index Name]
3-(1H-Imidazol-5-yl)(2H4)propanoic acid [ACD/IUPAC Name]
3-(1H-Imidazol-5-yl)(2H4)propansäure [German] [ACD/IUPAC Name]
Acide 3-(1H-imidazol-5-yl)(2H4)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.3±21.8 °C
Index of Refraction: 1.572
Molar Refractivity: 34.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 104.9±3.0 cm3

Click to predict properties on the Chemicalize site


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