ChemSpider 2D Image | 3-(Methylsulfamoyl)propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate | C14H22N2O6S

3-(Methylsulfamoyl)propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate

  • Molecular FormulaC14H22N2O6S
  • Average mass346.399 Da
  • Monoisotopic mass346.119843 Da
  • ChemSpider ID30232723

More details:

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

(1,3-Dioxooctahydro-2H-isoindol-2-yl)acétate de 3-(méthylsulfamoyl)propyle [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, octahydro-1,3-dioxo-, 3-[(methylamino)sulfonyl]propyl ester [ACD/Index Name]
3-(Methylsulfamoyl)propyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate [ACD/IUPAC Name]
3-(Methylsulfamoyl)propyl-(1,3-dioxooctahydro-2H-isoindol-2-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.3±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.69
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.69
Polar Surface Area: 118 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

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