ChemSpider 2D Image | Chloromethyl 4-sulfamoyl-1-piperazinecarboxylate | C6H12ClN3O4S

Chloromethyl 4-sulfamoyl-1-piperazinecarboxylate

  • Molecular FormulaC6H12ClN3O4S
  • Average mass257.695 Da
  • Monoisotopic mass257.023712 Da
  • ChemSpider ID108520916

More details:

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

1-Piperazinecarboxylic acid, 4-(aminosulfonyl)-, chloromethyl ester [ACD/Index Name]
4-Sulfamoyl-1-pipérazinecarboxylate de chlorométhyle [French] [ACD/IUPAC Name]
Chlormethyl-4-sulfamoyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
Chloromethyl 4-sulfamoyl-1-piperazinecarboxylate [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 418.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 54.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 101 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 161.3±5.0 cm3

Click to predict properties on the Chemicalize site


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