ChemSpider 2D Image | 3-(~2~H_3_)-1H-Pyrazol-1-yl-L-alanine | C6H6D3N3O2

3-(2H3)-1H-Pyrazol-1-yl-L-alanine

  • Molecular FormulaC6H6D3N3O2
  • Average mass158.173 Da
  • Monoisotopic mass158.088303 Da
  • ChemSpider ID77498777

  • 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

3-(2H3)-1H-Pyrazol-1-yl-L-alanin [German] [ACD/IUPAC Name]
3-(2H3)-1H-Pyrazol-1-yl-L-alanine [ACD/IUPAC Name]
3-(2H3)-1H-Pyrazol-1-yl-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-(1H-pyrazol-1-yl-d3)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 342.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.1±26.5 °C
Index of Refraction: 1.631
Molar Refractivity: 38.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 107.4±7.0 cm3

Click to predict properties on the Chemicalize site


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