ChemSpider 2D Image | ethyl 7-oxo-7-[2-(pyrrolidinomethyl)phenyl]heptanoate | C20H29NO3

ethyl 7-oxo-7-[2-(pyrrolidinomethyl)phenyl]heptanoate

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID21400006

More details:






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

7-Oxo-7-[2-(1-pyrrolidinylméthyl)phényl]heptanoate d'éthyle [French] [ACD/IUPAC Name]
898775-36-5 [RN]
Benzeneheptanoic acid, ζ-oxo-2-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 7-oxo-7-[2-(1-pyrrolidinylmethyl)phenyl]heptanoate [ACD/IUPAC Name]
ethyl 7-oxo-7-[2-(pyrrolidinomethyl)phenyl]heptanoate
Ethyl ζ-oxo-2-(1-pyrrolidinylmethyl)benzeneheptanoate
Ethyl-7-oxo-7-[2-(1-pyrrolidinylmethyl)phenyl]heptanoat [German] [ACD/IUPAC Name]
ethyl 7-oxo-7-[2-(pyrrolidin-1-ylmethyl)phenyl]heptanoate
Ethyl 7-oxo-7-{2-[(pyrrolidin-1-yl)methyl]phenyl}heptanoate
ETHYL7-OXO-7-[2-(PYRROLIDINOMETHYL)PHENYL]HEPTANOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 448.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.9±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 28.54
Polar Surface Area: 47 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

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