ChemSpider 2D Image | (2S)-4-Benzyl-1-(4-bromo-3-methylphenyl)-2-methylpiperazine | C19H23BrN2

(2S)-4-Benzyl-1-(4-bromo-3-methylphenyl)-2-methylpiperazine

  • Molecular FormulaC19H23BrN2
  • Average mass359.303 Da
  • Monoisotopic mass358.104462 Da
  • ChemSpider ID21195082

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Benzyl-1-(4-brom-3-methylphenyl)-2-methylpiperazin [German] [ACD/IUPAC Name]
(2S)-4-Benzyl-1-(4-bromo-3-methylphenyl)-2-methylpiperazine [ACD/IUPAC Name]
(2S)-4-Benzyl-1-(4-bromo-3-méthylphényl)-2-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-(4-bromo-3-methylphenyl)-2-methyl-4-(phenylmethyl)-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.2±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 557.31
ACD/KOC (pH 5.5): 2019.28
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2722.10
ACD/KOC (pH 7.4): 9862.91
Polar Surface Area: 6 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement