ChemSpider 2D Image | ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate | C17H23NO3

ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID21399095

More details:

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

4-Oxo-4-[4-(1-pyrrolidinylméthyl)phényl]butanoate d'éthyle [French] [ACD/IUPAC Name]
898777-07-6 [RN]
Benzenebutanoic acid, γ-oxo-4-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate
Ethyl 4-oxo-4-[4-(1-pyrrolidinylmethyl)phenyl]butanoate [ACD/IUPAC Name]
Ethyl γ-oxo-4-(1-pyrrolidinylmethyl)benzenebutanoate
Ethyl-4-oxo-4-[4-(1-pyrrolidinylmethyl)phenyl]butanoat [German] [ACD/IUPAC Name]
Ethyl 4-oxo-4-[(4-pyrrolidinomethyl)phenyl]butyrate
ethyl 4-oxo-4-[4-(pyrrolidin-1-ylmethyl)phenyl]butanoate
Ethyl 4-oxo-4-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 426.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 211.8±25.9 °C
Index of Refraction: 1.542
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.04
Polar Surface Area: 47 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

Click to predict properties on the Chemicalize site


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