ChemSpider 2D Image | ethyl 6-oxo-6-[4-(piperidinomethyl)phenyl]hexanoate | C20H29NO3

ethyl 6-oxo-6-[4-(piperidinomethyl)phenyl]hexanoate

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID21399043

More details:

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

6-Oxo-6-[4-(1-pipéridinylméthyl)phényl]hexanoate d'éthyle [French] [ACD/IUPAC Name]
898775-83-2 [RN]
Benzenehexanoic acid, ε-oxo-4-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 6-oxo-6-[4-(1-piperidinylmethyl)phenyl]hexanoate [ACD/IUPAC Name]
ethyl 6-oxo-6-[4-(piperidinomethyl)phenyl]hexanoate
Ethyl-6-oxo-6-[4-(1-piperidinylmethyl)phenyl]hexanoat [German] [ACD/IUPAC Name]
ethyl 6-oxo-6-[4-(piperidin-1-ylmethyl)phenyl]hexanoate
ethyl 6-oxo-6-[4-(piperidinomethyl )phenyl ]hexanoate
Ethyl 6-oxo-6-[4-(piperidinomethyl)-phenyl]hexanoate
Ethyl 6-oxo-6-{4-[(piperidin-1-yl)methyl]phenyl}hexanoate
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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: 455.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.0±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): 1.19
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 46.04
ACD/KOC (pH 7.4): 268.12
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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