ChemSpider 2D Image | ethyl 7-oxo-7-[3-(piperidinomethyl)phenyl]heptanoate | C21H31NO3

ethyl 7-oxo-7-[3-(piperidinomethyl)phenyl]heptanoate

  • Molecular FormulaC21H31NO3
  • Average mass345.476 Da
  • Monoisotopic mass345.230408 Da
  • ChemSpider ID21399496

More details:

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

7-Oxo-7-[3-(1-pipéridinylméthyl)phényl]heptanoate d'éthyle [French] [ACD/IUPAC Name]
898793-83-4 [RN]
Benzeneheptanoic acid, ζ-oxo-3-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 7-oxo-7-[3-(1-piperidinylmethyl)phenyl]heptanoate [ACD/IUPAC Name]
ethyl 7-oxo-7-[3-(piperidinomethyl)phenyl]heptanoate
Ethyl-7-oxo-7-[3-(1-piperidinylmethyl)phenyl]heptanoat [German] [ACD/IUPAC Name]
ethyl 7-oxo-7-[3-(piperidin-1-ylmethyl)phenyl]heptanoate
ethyl 7-oxo-7-[3-(piperidinomethyl )phenyl ]heptanoate
Ethyl 7-oxo-7-{3-[(piperidin-1-yl)methyl]phenyl}heptanoate
ethyl7-oxo-7-[3-(piperidinomethyl)phenyl]heptanoate
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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: 465.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.5±25.9 °C
Index of Refraction: 1.525
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 39.01
ACD/KOC (pH 7.4): 208.02
Polar Surface Area: 47 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

Click to predict properties on the Chemicalize site


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