ChemSpider 2D Image | (3S)-1-(3,5-Dibromo-2-methoxybenzyl)-3-methylpiperazine | C13H18Br2N2O

(3S)-1-(3,5-Dibromo-2-methoxybenzyl)-3-methylpiperazine

  • Molecular FormulaC13H18Br2N2O
  • Average mass378.103 Da
  • Monoisotopic mass375.978577 Da
  • ChemSpider ID63621233

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(3,5-Dibrom-2-methoxybenzyl)-3-methylpiperazin [German] [ACD/IUPAC Name]
(3S)-1-(3,5-Dibromo-2-methoxybenzyl)-3-methylpiperazine [ACD/IUPAC Name]
(3S)-1-(3,5-Dibromo-2-méthoxybenzyl)-3-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-methyl-, (3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 407.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.2±27.3 °C
Index of Refraction: 1.569
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 6.04
ACD/KOC (pH 7.4): 43.17
Polar Surface Area: 25 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 248.2±3.0 cm3

Click to predict properties on the Chemicalize site


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