ChemSpider 2D Image | Methyl N-carbamoyl-3-chloro-D-alaninate | C5H9ClN2O3

Methyl N-carbamoyl-3-chloro-D-alaninate

  • Molecular FormulaC5H9ClN2O3
  • Average mass180.590 Da
  • Monoisotopic mass180.030167 Da
  • ChemSpider ID62587889
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

D-Alanine, N-(aminocarbonyl)-3-chloro-, methyl ester [ACD/Index Name]
Methyl N-carbamoyl-3-chloro-D-alaninate [ACD/IUPAC Name]
Methyl-N-carbamoyl-3-chlor-D-alaninat [German] [ACD/IUPAC Name]
N-Carbamoyl-3-chloro-D-alaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 282.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 124.9±27.3 °C
Index of Refraction: 1.485
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.68
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.67
Polar Surface Area: 81 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 135.9±3.0 cm3

Click to predict properties on the Chemicalize site






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