ChemSpider 2D Image | ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate | C19H27NO3

ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID21399494

More details:

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

5-Oxo-5-[3-(1-pipéridinylméthyl)phényl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
898793-77-6 [RN]
Benzenepentanoic acid, δ-oxo-3-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 5-oxo-5-[3-(1-piperidinylmethyl)phenyl]pentanoate [ACD/IUPAC Name]
ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate
Ethyl-5-oxo-5-[3-(1-piperidinylmethyl)phenyl]pentanoat [German] [ACD/IUPAC Name]
ETHYL 5-OXO-5-[3-(PIPERIDIN-1-YLMETHYL)PHENYL]PENTANOATE
ETHYL 5-OXO-5-[3-(PIPERIDIN-1-YLMETHYL)PHENYL]VALERATE
Ethyl 5-oxo-5-{3-[(piperidin-1-yl)methyl]phenyl}pentanoate
ETHYL5-OXO-5-[3-(PIPERIDINOMETHYL)PHENYL]VALERATE
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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: 451.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 226.9±25.9 °C
Index of Refraction: 1.531
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 17.41
ACD/KOC (pH 7.4): 117.29
Polar Surface Area: 47 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 293.4±3.0 cm3

Click to predict properties on the Chemicalize site


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