ChemSpider 2D Image | 4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-1H-imidazol-1-ium | C15H19N4O4S

4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-1H-imidazol-1-ium

  • Molecular FormulaC15H19N4O4S
  • Average mass351.400 Da
  • Monoisotopic mass351.112152 Da
  • ChemSpider ID21470898

  • Charge - Charge

More details:

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

4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-1H-imidazol-1-ium [ACD/IUPAC Name]
4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-1H-imidazol-1-ium [German] [ACD/IUPAC Name]
4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]sulfonyl}-1H-imidazol-1-ium [French] [ACD/IUPAC Name]
Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(1H-imidazol-4-ylsulfonyl)-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 592.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 56.08
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 78.88
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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