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Search term: SBXMTKVGZWOAND (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate | C22H33NO3

Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate

  • Molecular FormulaC22H33NO3
  • Average mass359.502 Da
  • Monoisotopic mass359.246033 Da
  • ChemSpider ID21399950

More details:






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

898773-99-4 [RN]
8-Oxo-8-[2-(1-pipéridinylméthyl)phényl]octanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, η-oxo-2-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 8-oxo-8-[2-(1-piperidinylmethyl)phenyl]octanoate [ACD/IUPAC Name]
Ethyl η-oxo-2-(1-piperidinylmethyl)benzeneoctanoate
Ethyl-8-oxo-8-[2-(1-piperidinylmethyl)phenyl]octanoat [German] [ACD/IUPAC Name]
ETHYL 8-OXO-8-[2-(PIPERIDIN-1-YLMETHYL)PHENYL]OCTANOATE
ethyl 8-oxo-8-[2-(piperidinomethyl)phenyl]octanoate
Ethyl 8-oxo-8-{2-[(piperidin-1-yl)methyl]phenyl}octanoate
ETHYL8-OXO-8-[2-(PIPERIDINOMETHYL)PHENYL]OCTANOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 475.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.1±25.9 °C
Index of Refraction: 1.522
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 9.30
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 75.67
ACD/KOC (pH 7.4): 338.11
Polar Surface Area: 47 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site






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