ChemSpider 2D Image | 9-Methyl-3-{[2-(~2~H_3_)methyl(~2~H_2_)-1H-imidazol-1-yl]methyl}-1,2,3,9-tetrahydro-4H-carbazol-4-one | C18H14D5N3O

9-Methyl-3-{[2-(2H3)methyl(2H2)-1H-imidazol-1-yl]methyl}-1,2,3,9-tetrahydro-4H-carbazol-4-one

  • Molecular FormulaC18H14D5N3O
  • Average mass298.394 Da
  • Monoisotopic mass298.184204 Da
  • ChemSpider ID24533501
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[[2-(methyl-d3)-1H-imidazol-1-yl-4,5-d2]methyl]- [ACD/Index Name]
9-Methyl-3-{[2-(2H3)methyl(2H2)-1H-imidazol-1-yl]methyl}-1,2,3,9-tetrahydro-4H-carbazol-4-on [German] [ACD/IUPAC Name]
9-Methyl-3-{[2-(2H3)methyl(2H2)-1H-imidazol-1-yl]methyl}-1,2,3,9-tetrahydro-4H-carbazol-4-one [ACD/IUPAC Name]
9-Méthyl-3-{[2-(2H3)méthyl(2H2)-1H-imidazol-1-yl]méthyl}-1,2,3,9-tétrahydro-4H-carbazol-4-one [French] [ACD/IUPAC Name]
(?)-Ondansetron-d5 (methylimidazole-d5)
1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one
1219798-86-3 [RN]
Ondansetron-d5 (methylimidazole-d5)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.0±24.6 °C
Index of Refraction: 1.678
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 10.17
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 34.36
ACD/KOC (pH 7.4): 347.28
Polar Surface Area: 40 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 230.1±7.0 cm3

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