ChemSpider 2D Image | 3-[4-Amino-1-oxo(3,3-~2~H_2_)-1,3-dihydro-2H-isoindol-2-yl]-2,6-(3,5,5-~2~H_3_)piperidinedione | C13H8D5N3O3

3-[4-Amino-1-oxo(3,3-2H2)-1,3-dihydro-2H-isoindol-2-yl]-2,6-(3,5,5-2H3)piperidinedione

  • Molecular FormulaC13H8D5N3O3
  • Average mass264.291 Da
  • Monoisotopic mass264.127075 Da
  • ChemSpider ID58782660
  • Non-standard isotope - Non-standard isotope


More details:






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

2,6-Piperidinedione-3,3,5-d3, 5-(7-amino-1,3-dihydro-1-d-3-oxo-2H-isoindol-2-yl-1-d)- [ACD/Index Name]
3-[4-Amino-1-oxo(3,3-2H2)-1,3-dihydro-2H-isoindol-2-yl]-2,6-(3,5,5-2H3)piperidindion [German] [ACD/IUPAC Name]
3-[4-Amino-1-oxo(3,3-2H2)-1,3-dihydro-2H-isoindol-2-yl]-2,6-(3,5,5-2H3)piperidinedione [ACD/IUPAC Name]
3-[4-Amino-1-oxo(3,3-2H2)-1,3-dihydro-2H-isoindol-2-yl]-2,6-(3,5,5-2H3)pipéridinedione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.98
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.00
Polar Surface Area: 93 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

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