ChemSpider 2D Image | Ethyl 6-(~2~H_1_)methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C14H15DN2O3

Ethyl 6-(2H1)methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC14H15DN2O3
  • Average mass261.295 Da
  • Monoisotopic mass261.122375 Da
  • ChemSpider ID9600355

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-(methyl-d)-2-oxo-4-phenyl-, ethyl ester [ACD/Index Name]
6-(2H1)Méthyl-2-oxo-4-phényl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(2H1)methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-(2H1)methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [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: 386.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.5±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.04
ACD/KOC (pH 5.5): 264.92
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.04
ACD/KOC (pH 7.4): 264.86
Polar Surface Area: 67 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 222.6±3.0 cm3

Click to predict properties on the Chemicalize site


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