ChemSpider 2D Image | Ethyl 4-amino-4-[5-(2-fluoro-2-propanyl)-2,3-dimethoxyphenyl]butanoate | C17H26FNO4

Ethyl 4-amino-4-[5-(2-fluoro-2-propanyl)-2,3-dimethoxyphenyl]butanoate

  • Molecular FormulaC17H26FNO4
  • Average mass327.391 Da
  • Monoisotopic mass327.184601 Da
  • ChemSpider ID73833429

More details:

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

4-Amino-4-[5-(2-fluoro-2-propanyl)-2,3-diméthoxyphényl]butanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, γ-amino-5-(1-fluoro-1-methylethyl)-2,3-dimethoxy-, ethyl ester [ACD/Index Name]
Ethyl 4-amino-4-[5-(2-fluoro-2-propanyl)-2,3-dimethoxyphenyl]butanoate [ACD/IUPAC Name]
Ethyl-4-amino-4-[5-(2-fluor-2-propanyl)-2,3-dimethoxyphenyl]butanoat [German] [ACD/IUPAC 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: 433.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.2±28.7 °C
Index of Refraction: 1.492
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 18.33
Polar Surface Area: 71 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

Click to predict properties on the Chemicalize site


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