ChemSpider 2D Image | (~2~H_5_)Ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate | C14H11D5N2O2

(2H5)Ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate

  • Molecular FormulaC14H11D5N2O2
  • Average mass249.320 Da
  • Monoisotopic mass249.152557 Da
  • ChemSpider ID107449956

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
(2H5)Ethyl-1-[(1R)-1-phenylethyl]-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
1-[(1R)-1-Phényléthyl]-1H-imidazole-5-carboxylate de (2H5)éthyle [French] [ACD/IUPAC Name]
1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl-d5 ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.6±20.9 °C
Index of Refraction: 1.562
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.77
ACD/KOC (pH 5.5): 554.09
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.35
ACD/KOC (pH 7.4): 583.35
Polar Surface Area: 44 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 218.5±7.0 cm3

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