ChemSpider 2D Image | L-Theanine-d5(N-ethyl-d5) | C7H9D5N2O3

L-Theanine-d5(N-ethyl-d5)

  • Molecular FormulaC7H9D5N2O3
  • Average mass179.229 Da
  • Monoisotopic mass179.131821 Da
  • ChemSpider ID34998165

  • 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

1217451-85-8 [RN]
Glutamine-N2,N2,2,3,3-d5, N-ethyl- [ACD/Index Name]
L-Theanine-d5(N-ethyl-d5)
N-Ethyl(N2,N2,2,3,3-2H5)glutamin [German] [ACD/IUPAC Name]
N-Ethyl(N2,N2,2,3,3-2H5)glutamine [ACD/IUPAC Name]
N-Éthyl(N2,N2,2,3,3-2H5)glutamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 214.0±27.3 °C
Index of Refraction: 1.492
Molar Refractivity: 43.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 148.7±3.0 cm3

Click to predict properties on the Chemicalize site


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