ChemSpider 2D Image | 4-[(Chloromethyl)sulfonyl]-1-methyl-2-piperazinone | C6H11ClN2O3S

4-[(Chloromethyl)sulfonyl]-1-methyl-2-piperazinone

  • Molecular FormulaC6H11ClN2O3S
  • Average mass226.681 Da
  • Monoisotopic mass226.017883 Da
  • ChemSpider ID45234009

More details:

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

2-Piperazinone, 4-[(chloromethyl)sulfonyl]-1-methyl- [ACD/Index Name]
4-[(Chlormethyl)sulfonyl]-1-methyl-2-piperazinon [German] [ACD/IUPAC Name]
4-[(Chloromethyl)sulfonyl]-1-methyl-2-piperazinone [ACD/IUPAC Name]
4-[(Chlorométhyl)sulfonyl]-1-méthyl-2-pipérazinone [French] [ACD/IUPAC Name]
1340060-26-5 [RN]
MFCD20390116

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

Density: 1.5±0.1 g/cm3
Boiling Point: 404.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.5±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 49.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.39
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.39
Polar Surface Area: 66 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 151.3±5.0 cm3

Click to predict properties on the Chemicalize site


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