ChemSpider 2D Image | 2-(5-Isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-{[(~2~H_3_)methyloxy]methyl}nicotinic acid | C15H16D3N3O4

2-(5-Isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-{[(2H3)methyloxy]methyl}nicotinic acid

  • Molecular FormulaC15H16D3N3O4
  • Average mass308.348 Da
  • Monoisotopic mass308.156372 Da
  • ChemSpider ID107438890

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(5-Isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-{[(2H3)methyloxy]methyl}nicotinic acid [ACD/IUPAC Name]
2-(5-Isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-{[(2H3)methyloxy]methyl}nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-[(methyl-d3-oxy)methyl]- [ACD/Index Name]
Acide 2-(5-isopropyl-5-méthyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-{[(2H3)méthyloxy]méthyl}nicotinique [French] [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: 455.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 229.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 79.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 231.4±7.0 cm3

Click to predict properties on the Chemicalize site


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