ChemSpider 2D Image | Methyl N-(2,6-dimethylphenyl)-N-[(~2~H_5_)phenylacetyl]-D-alaninate | C20H18D5NO3

Methyl N-(2,6-dimethylphenyl)-N-[(2H5)phenylacetyl]-D-alaninate

  • Molecular FormulaC20H18D5NO3
  • Average mass330.432 Da
  • Monoisotopic mass330.199188 Da
  • ChemSpider ID58781261

  • 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

D-Alanine, N-(2,6-dimethylphenyl)-N-[2-(phenyl-d5)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-(2,6-dimethylphenyl)-N-[(2H5)phenylacetyl]-D-alaninate [ACD/IUPAC Name]
Methyl-N-(2,6-dimethylphenyl)-N-[(2H5)phenylacetyl]-D-alaninat [German] [ACD/IUPAC Name]
N-(2,6-Diméthylphényl)-N-[2-(2H5)phénylacétyl]-D-alaninate de méthyle [French] [ACD/IUPAC 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: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.3±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.84
ACD/KOC (pH 5.5): 3401.41
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.90
ACD/KOC (pH 7.4): 3401.76
Polar Surface Area: 47 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

Click to predict properties on the Chemicalize site


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