ChemSpider 2D Image | Methyl 5-amino-2-(4-methyl-1-piperazinyl)benzoate | C13H19N3O2

Methyl 5-amino-2-(4-methyl-1-piperazinyl)benzoate

  • Molecular FormulaC13H19N3O2
  • Average mass249.309 Da
  • Monoisotopic mass249.147720 Da
  • ChemSpider ID22753565

More details:

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

5-Amino-2-(4-méthyl-1-pipérazinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
774126-94-2 [RN]
Benzoic acid, 5-amino-2-(4-methyl-1-piperazinyl)-, methyl ester [ACD/Index Name]
Methyl 5-amino-2-(4-methyl-1-piperazinyl)benzoate [ACD/IUPAC Name]
methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
Methyl-5-amino-2-(4-methyl-1-piperazinyl)benzoat [German] [ACD/IUPAC Name]
[774126-94-2] [RN]
5-Amino-2-(4-methyl-piperazin-1-yl)-benzoic acid methyl ester
benzenecarboxylate
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 427.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.4±28.7 °C
    Index of Refraction: 1.579
    Molar Refractivity: 70.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.60
    ACD/LogD (pH 5.5): -1.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.10
    Polar Surface Area: 59 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 212.9±3.0 cm3

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