ChemSpider 2D Image | Ethyl N-ethyl-N-[3-(3-fluoro-4-methoxyphenyl)-3-hydroxypropyl]-beta-alaninate | C17H26FNO4

Ethyl N-ethyl-N-[3-(3-fluoro-4-methoxyphenyl)-3-hydroxypropyl]-β-alaninate

  • Molecular FormulaC17H26FNO4
  • Average mass327.391 Da
  • Monoisotopic mass327.184601 Da
  • ChemSpider ID76048804

More details:

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

Ethyl N-ethyl-N-[3-(3-fluoro-4-methoxyphenyl)-3-hydroxypropyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-ethyl-N-[3-(3-fluor-4-methoxyphenyl)-3-hydroxypropyl]-β-alaninat [German] [ACD/IUPAC Name]
N-Éthyl-N-[3-(3-fluoro-4-méthoxyphényl)-3-hydroxypropyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-ethyl-N-[3-(3-fluoro-4-methoxyphenyl)-3-hydroxypropyl]-, 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: 430.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.2±28.7 °C
Index of Refraction: 1.506
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 31.66
Polar Surface Area: 59 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


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