ChemSpider 2D Image | Ethyl 7-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-7-oxoheptanoate | C21H32N2O3

Ethyl 7-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-7-oxoheptanoate

  • Molecular FormulaC21H32N2O3
  • Average mass360.490 Da
  • Monoisotopic mass360.241302 Da
  • ChemSpider ID21399326

More details:

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

7-{4-[(4-Méthyl-1-pipérazinyl)méthyl]phényl}-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
898763-65-0 [RN]
Benzeneheptanoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-7-oxoheptanoat [German] [ACD/IUPAC Name]
ETHYL 7-[4-(4-METHYLPIPERAZIN-1-YLMETHYL)PHENYL]-7-OXOHEPTANOATE
ethyl 7-[4-(4-methylpiperazinomethyl)phenyl]-7-oxoheptanoate
ethyl 7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-oxoheptanoate
ETHYL 7-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL}-7-OXOHEPTANOATE
ETHYL7-[4-(4-METHYLPIPERAZINOMETHYL)PHENYL]-7-OXOHEPTANOATE
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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: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 34.03
ACD/KOC (pH 7.4): 334.64
Polar Surface Area: 50 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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