ChemSpider 2D Image | Ethyl 4-(4-methyl-1-piperazinyl)-3-nitrobenzoate | C14H19N3O4

Ethyl 4-(4-methyl-1-piperazinyl)-3-nitrobenzoate

  • Molecular FormulaC14H19N3O4
  • Average mass293.318 Da
  • Monoisotopic mass293.137543 Da
  • ChemSpider ID21328703

More details:

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

1000018-71-2 [RN]
4-(4-Méthyl-1-pipérazinyl)-3-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-methyl-1-piperazinyl)-3-nitro-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-methyl-1-piperazinyl)-3-nitrobenzoate [ACD/IUPAC Name]
ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate
Ethyl-4-(4-methyl-1-piperazinyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
[1000018-71-2] [RN]
Ethyl 3-nitro-4-(4-methylpiperazin-1-yl)benzoate
ethyl3-nitro-4-(4-methylpiperazin-1-yl)benzoate

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

MFCD09064902 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 444.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 222.8±28.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 77.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.61
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 22.87
    ACD/KOC (pH 7.4): 285.46
    Polar Surface Area: 79 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 239.0±3.0 cm3

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