ChemSpider 2D Image | 4-[(2-Aminoethyl)sulfonyl]-1-methyl-2,6-piperazinedione | C7H13N3O4S

4-[(2-Aminoethyl)sulfonyl]-1-methyl-2,6-piperazinedione

  • Molecular FormulaC7H13N3O4S
  • Average mass235.261 Da
  • Monoisotopic mass235.062683 Da
  • ChemSpider ID37601357

More details:

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

2,6-Piperazinedione, 4-[(2-aminoethyl)sulfonyl]-1-methyl- [ACD/Index Name]
4-[(2-Aminoethyl)sulfonyl]-1-methyl-2,6-piperazindion [German] [ACD/IUPAC Name]
4-[(2-Aminoethyl)sulfonyl]-1-methyl-2,6-piperazinedione [ACD/IUPAC Name]
4-[(2-Aminoéthyl)sulfonyl]-1-méthyl-2,6-pipérazinedione [French] [ACD/IUPAC Name]
1521651-80-8 [RN]
MFCD26618168

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

Density: 1.5±0.1 g/cm3
Boiling Point: 459.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 52.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 109 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 157.0±5.0 cm3

Click to predict properties on the Chemicalize site


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