ChemSpider 2D Image | N-{[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}(~2~H_5_)propanamide | C15H14D5NO2

N-{[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}(2H5)propanamide

  • Molecular FormulaC15H14D5NO2
  • Average mass250.348 Da
  • Monoisotopic mass250.172958 Da
  • ChemSpider ID103835313
  • 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

N-{[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}(2H5)propanamid [German] [ACD/IUPAC Name]
N-{[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}(2H5)propanamide [ACD/IUPAC Name]
N-{[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]méthyl}(2H5)propanamide [French] [ACD/IUPAC Name]
Propanamide-d5, N-[[(1R,2R)-2-(2,3-dihydro-4-benzofuranyl)cyclopropyl]methyl]- [ACD/Index Name]
160889-18-9 [RN]
1962124-51-1 [RN]
Tasimelteon-d5

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

Density: 1.1±0.1 g/cm3
Boiling Point: 442.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.4±22.9 °C
Index of Refraction: 1.564
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.98
ACD/KOC (pH 5.5): 368.05
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.98
ACD/KOC (pH 7.4): 368.05
Polar Surface Area: 38 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 214.1±3.0 cm3

Click to predict properties on the Chemicalize site






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