ChemSpider 2D Image | ethyl 6-oxo-6-[3-(pyrrolidinomethyl)phenyl]hexanoate | C19H27NO3

ethyl 6-oxo-6-[3-(pyrrolidinomethyl)phenyl]hexanoate

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID21399552

More details:

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

6-Oxo-6-[3-(1-pyrrolidinylméthyl)phényl]hexanoate d'éthyle [French] [ACD/IUPAC Name]
898771-07-8 [RN]
Benzenehexanoic acid, ε-oxo-3-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 6-oxo-6-[3-(1-pyrrolidinylmethyl)phenyl]hexanoate [ACD/IUPAC Name]
ethyl 6-oxo-6-[3-(pyrrolidinomethyl)phenyl]hexanoate
Ethyl-6-oxo-6-[3-(1-pyrrolidinylmethyl)phenyl]hexanoat [German] [ACD/IUPAC Name]
ethyl 6-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]hexanoate
Ethyl 6-oxo-6-{3-[(pyrrolidin-1-yl)methyl]phenyl}hexanoate
ETHYL6-OXO-6-[3-(PYRROLIDINOMETHYL)PHENYL]HEXANOATE
MFCD03842061 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 438.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.2±25.9 °C
Index of Refraction: 1.534
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 18.18
Polar Surface Area: 47 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

Click to predict properties on the Chemicalize site


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