ChemSpider 2D Image | Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-γ-oxobenzenebutanoate | C18H26N2O3

Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-γ-oxobenzenebutanoate

  • Molecular FormulaC18H26N2O3
  • Average mass318.411 Da
  • Monoisotopic mass318.194336 Da
  • ChemSpider ID21399323

More details:

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

4-{4-[(4-Méthyl-1-pipérazinyl)méthyl]phényl}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
898763-57-0 [RN]
Benzenebutanoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-γ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(4-methyl-1-piperazinyl)methyl]-γ-oxobenzenebutanoate
Ethyl 4-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-4-oxobutanoat [German] [ACD/IUPAC Name]
[898763-57-0] [RN]
97%
ETHYL 4-[4-(4-METHYLPIPERAZIN-1-YLMETHYL)PHENYL]-4-OXOBUTYRATE
Ethyl 4-[4-(4-methylpiperazinomethyl)phenyl]-4-oxobutyrate
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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: 448.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.8±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 65.75
Polar Surface Area: 50 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

Click to predict properties on the Chemicalize site


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