ChemSpider 2D Image | Ethyl 7-[2-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-7-oxoheptanoate | C20H27NO3

Ethyl 7-[2-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-7-oxoheptanoate

  • Molecular FormulaC20H27NO3
  • Average mass329.433 Da
  • Monoisotopic mass329.199097 Da
  • ChemSpider ID21400291

More details:






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

7-[2-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-[2-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[2-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
898764-02-8 [RN]
Ethyl 7-(2-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)-7-oxoheptanoate
ethyl 7-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-7-oxoheptanoate
Ethyl 7-{2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}-7-oxoheptanoate
ethyl 7-oxo-7-[2-(3-pyrrolinomethyl)phenyl]heptanoate
MFCD03842912 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 454.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.5±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 99.54
Polar Surface Area: 47 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 301.9±3.0 cm3

Click to predict properties on the Chemicalize site






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