ChemSpider 2D Image | N-(~2~H_3_)Ethanoyl-beta-alanine | C5H6D3NO3

N-(2H3)Ethanoyl-β-alanine

  • Molecular FormulaC5H6D3NO3
  • Average mass134.148 Da
  • Monoisotopic mass134.077072 Da
  • ChemSpider ID107434338

  • Non-standard isotope - Non-standard isotope

More details:

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

N-(2H3)Ethanoyl-β-alanin [German] [ACD/IUPAC Name]
N-(2H3)Ethanoyl-β-alanine [ACD/IUPAC Name]
N-(2H3)Éthanoyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(1-oxoethyl-2,2,2-d3)- [ACD/Index 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: 392.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 190.9±23.2 °C
Index of Refraction: 1.457
Molar Refractivity: 30.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 111.6±3.0 cm3

Click to predict properties on the Chemicalize site


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