ChemSpider 2D Image | Ethyl N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-2-methylalanyl-N-propyl-beta-alaninate | C22H33ClN2O5

Ethyl N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-2-methylalanyl-N-propyl-β-alaninate

  • Molecular FormulaC22H33ClN2O5
  • Average mass440.961 Da
  • Monoisotopic mass440.207794 Da
  • ChemSpider ID117862303

More details:

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

Ethyl N-[2-(4-chlorophenoxy)-2-methylpropanoyl]-2-methylalanyl-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-(4-chlorphenoxy)-2-methylpropanoyl]-2-methylalanyl-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-[2-(4-Chlorophénoxy)-2-méthylpropanoyl]-2-méthylalanyl-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-2-methylalanyl-N-propyl-, ethyl 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: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 581.40
ACD/KOC (pH 5.5): 3314.46
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.40
ACD/KOC (pH 7.4): 3314.47
Polar Surface Area: 85 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 386.9±3.0 cm3

Click to predict properties on the Chemicalize site


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