ChemSpider 2D Image | 1-(2-Methyl-1,4-benzodioxin-5-yl)piperazine | C13H16N2O2

1-(2-Methyl-1,4-benzodioxin-5-yl)piperazine

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID23152099

More details:

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

1-(2-Methyl-1,4-benzodioxin-5-yl)piperazin [German] [ACD/IUPAC Name]
1-(2-Methyl-1,4-benzodioxin-5-yl)piperazine [ACD/IUPAC Name]
1-(2-Méthyl-1,4-benzodioxin-5-yl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-(2-methyl-1,4-benzodioxin-5-yl)- [ACD/Index Name]
1-(2-Methyl-benzo[1,4]dioxin-5-yl)-piperazine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL294456/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 374.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.4±27.9 °C
Index of Refraction: 1.569
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 34 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site


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