ChemSpider 2D Image | ethyl 6-oxo-6-[(4-pyrrolidinomthyl)phenyl]hexanoate | C19H27NO3

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

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID21399097

More details:

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

6-Oxo-6-[4-(1-pyrrolidinylméthyl)phényl]hexanoate d'éthyle [French] [ACD/IUPAC Name]
898777-13-4 [RN]
Benzenehexanoic acid, ε-oxo-4-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
ethyl 6-oxo-6-[(4-pyrrolidinomthyl)phenyl]hexanoate
Ethyl 6-oxo-6-[4-(1-pyrrolidinylmethyl)phenyl]hexanoate [ACD/IUPAC Name]
Ethyl-6-oxo-6-[4-(1-pyrrolidinylmethyl)phenyl]hexanoat [German] [ACD/IUPAC Name]
Ethyl 6-oxo-6-[(4-pyrrolidinomethyl)phenyl]hexanoate
ethyl 6-oxo-6-[4-(pyrrolidin-1-ylmethyl)phenyl]hexanoate
Ethyl 6-oxo-6-{4-[(pyrrolidin-1-yl)methyl]phenyl}hexanoate
MFCD03841549 [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: 440.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.4±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): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 22.90
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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