ChemSpider 2D Image | Ethyl 6-oxo-6-[3-(1-piperidinylmethyl)phenyl]hexanoate | C20H29NO3

Ethyl 6-oxo-6-[3-(1-piperidinylmethyl)phenyl]hexanoate

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID21399495

More details:






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

6-Oxo-6-[3-(1-pipéridinylméthyl)phényl]hexanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, ε-oxo-3-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 6-oxo-6-[3-(1-piperidinylmethyl)phenyl]hexanoate [ACD/IUPAC Name]
Ethyl-6-oxo-6-[3-(1-piperidinylmethyl)phenyl]hexanoat [German] [ACD/IUPAC Name]
898793-80-1 [RN]
ethyl 6-oxo-6-[3-(piperidin-1-ylmethyl)phenyl]hexanoate
ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate
Ethyl 6-oxo-6-{3-[(piperidin-1-yl)methyl]phenyl}hexanoate
ETHYL6-OXO-6-[3-(PIPERIDINOMETHYL)PHENYL]HEXANOATE
MFCD03842004 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 227.9±25.9 °C
Index of Refraction: 1.528
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 28.74
ACD/KOC (pH 7.4): 167.37
Polar Surface Area: 47 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

Click to predict properties on the Chemicalize site






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