ChemSpider 2D Image | Ethyl N-(3,6-dichloro-2-methoxybenzoyl)isovalyl-N-propyl-beta-alaninate | C21H30Cl2N2O5

Ethyl N-(3,6-dichloro-2-methoxybenzoyl)isovalyl-N-propyl-β-alaninate

  • Molecular FormulaC21H30Cl2N2O5
  • Average mass461.379 Da
  • Monoisotopic mass460.153168 Da
  • ChemSpider ID117772679

More details:

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

Ethyl N-(3,6-dichloro-2-methoxybenzoyl)isovalyl-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-(3,6-dichlor-2-methoxybenzoyl)isovalyl-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-(3,6-Dichloro-2-méthoxybenzoyl)isovalyl-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(3,6-dichloro-2-methoxybenzoyl)isovalyl-N-propyl-, ethyl ester [ACD/Index 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: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.14
ACD/KOC (pH 5.5): 3426.89
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.12
ACD/KOC (pH 7.4): 3426.78
Polar Surface Area: 85 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

Click to predict properties on the Chemicalize site


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