ChemSpider 2D Image | N-(~2~H_5_)Phenyl-L-alanine | C9H6D5NO2

N-(2H5)Phenyl-L-alanine

  • Molecular FormulaC9H6D5NO2
  • Average mass170.220 Da
  • Monoisotopic mass170.110367 Da
  • ChemSpider ID114989860

  • 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

L-Alanine, N-phenyl-d5- [ACD/Index Name]
N-(2H5)Phenyl-L-alanin [German] [ACD/IUPAC Name]
N-(2H5)Phenyl-L-alanine [ACD/IUPAC Name]
N-(2H5)Phényl-L-alanine [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: 355.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 168.5±23.2 °C
Index of Refraction: 1.597
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 136.9±3.0 cm3

Click to predict properties on the Chemicalize site


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