ChemSpider 2D Image | Carisoprodol-d7 (propyl-d7) | C12H17D7N2O4

Carisoprodol-d7 (propyl-d7)

  • Molecular FormulaC12H17D7N2O4
  • Average mass267.373 Da
  • Monoisotopic mass267.217529 Da
  • ChemSpider ID48058431

  • Non-standard isotope - Non-standard isotope

More details:

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

1218911-70-6 [RN]
2-[(Carbamoyloxy)methyl]-2-methyl(3,3,4,4,5,5,5-2H7)pentyl isopropylcarbamate [ACD/IUPAC Name]
2-[(Carbamoyloxy)methyl]-2-methyl(3,3,4,4,5,5,5-2H7)pentyl-isopropylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl-3,3,4,4,5,5,5-d7 ester [ACD/Index Name]
Carisoprodol-d7 (propyl-d7)
Isopropylcarbamate de 2-[(carbamoyloxy)méthyl]-2-méthyl(3,3,4,4,5,5,5-2H7)pentyle [French] [ACD/IUPAC Name]
[2-(carbamoyloxymethyl)-3,3,4,4,5,5,5-heptadeuterio-2-methylpentyl] N-propan-2-ylcarbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±24.0 °C
Index of Refraction: 1.466
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.37
ACD/KOC (pH 5.5): 268.57
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.37
ACD/KOC (pH 7.4): 268.57
Polar Surface Area: 91 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 246.5±3.0 cm3

Click to predict properties on the Chemicalize site


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