ChemSpider 2D Image | Methyl 5-bromo-2-(4-methyl-1-piperazinyl)benzoate | C13H17BrN2O2

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

  • Molecular FormulaC13H17BrN2O2
  • Average mass313.190 Da
  • Monoisotopic mass312.047333 Da
  • ChemSpider ID23960036

More details:

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

5-Bromo-2-(4-méthyl-1-pipérazinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-(4-methyl-1-piperazinyl)-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-(4-methyl-1-piperazinyl)benzoate [ACD/IUPAC Name]
Methyl-5-brom-2-(4-methyl-1-piperazinyl)benzoat [German] [ACD/IUPAC Name]
1131587-80-8 [RN]
5-bromo-2-(4-methyl-1-piperazinyl)benzoic acid methyl ester
Bis(hexamethylene)triamine
methyl 5-bromanyl-2-(4-methylpiperazin-1-yl)benzoate
methyl 5-bromo-2-(4-methylpiperazin-1-yl)benzoate
methyl 5-bromo-2-(4-methylpiperazinyl)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 402.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.3±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 24.05
ACD/KOC (pH 7.4): 287.38
Polar Surface Area: 33 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 226.8±3.0 cm3

Click to predict properties on the Chemicalize site


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