Found 9 results

Search term: SZJNCZMRZAUNQT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,8aS)-3-[2-(~2~H_3_)Methyl(~2~H_6_)propyl](3-~2~H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C11H8D10N2O2

(3S,8aS)-3-[2-(2H3)Methyl(2H6)propyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC11H8D10N2O2
  • Average mass220.334 Da
  • Monoisotopic mass220.199600 Da
  • ChemSpider ID128919112

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,8aS)-3-[2-(2H3)Methyl(2H6)propyl](3-2H)hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-[2-(2H3)Methyl(2H6)propyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-[2-(2H3)Méthyl(2H6)propyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione-3-d, hexahydro-3-[2-(methyl-d3)propyl-1,1,2,3,3,3-d6]-, (3S,8aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 427.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.4±25.7 °C
Index of Refraction: 1.530
Molar Refractivity: 56.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.33
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.33
Polar Surface Area: 49 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 183.2±5.0 cm3

Click to predict properties on the Chemicalize site


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