ChemSpider 2D Image | Methyl (2S)-2-amino(3,3,4,4,4-~2~H_5_)butanoate | C5H6D5NO2

Methyl (2S)-2-amino(3,3,4,4,4-2H5)butanoate

  • Molecular FormulaC5H6D5NO2
  • Average mass122.177 Da
  • Monoisotopic mass122.110359 Da
  • ChemSpider ID107446273

  • 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

(2S)-2-Amino(3,3,4,4,4-2H5)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic-3,3,4,4,4-d5 acid, 2-amino-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-2-amino(3,3,4,4,4-2H5)butanoate [ACD/IUPAC Name]
Methyl-(2S)-2-amino(3,3,4,4,4-2H5)butanoat [German] [ACD/IUPAC Name]
1346747-57-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 127.8±13.0 °C at 760 mmHg
Vapour Pressure: 11.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.6±3.0 kJ/mol
Flash Point: 3.5±17.4 °C
Index of Refraction: 1.427
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.88
Polar Surface Area: 52 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

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