ChemSpider 2D Image | (4R)-4-{[4-Amino(~2~H_4_)phenyl]methyl}(5,5-~2~H_2_)-1,3-oxazolidin-2-one | C10H6D6N2O2

(4R)-4-{[4-Amino(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-one

  • Molecular FormulaC10H6D6N2O2
  • Average mass198.251 Da
  • Monoisotopic mass198.127533 Da
  • ChemSpider ID111312684

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4R)-4-{[4-Amino(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-4-{[4-Amino(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R)-4-{[4-Amino(2H4)phényl]méthyl}(5,5-2H2)-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone-5,5-d2, 4-[(4-aminophenyl-2,3,5,6-d4)methyl]-, (4R)- [ACD/Index 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: 479.7±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.9±20.1 °C
Index of Refraction: 1.600
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 55.56
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 65.04
Polar Surface Area: 64 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 152.9±3.0 cm3

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