ChemSpider 2D Image | N-[4-Hydroxy(3,5-~2~H_2_)phenyl]-L-alanine | C9H9D2NO3

N-[4-Hydroxy(3,5-2H2)phenyl]-L-alanine

  • Molecular FormulaC9H9D2NO3
  • Average mass183.201 Da
  • Monoisotopic mass183.086441 Da
  • ChemSpider ID114815902

  • 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-(4-hydroxyphenyl-3,5-d2)- [ACD/Index Name]
N-[4-Hydroxy(3,5-2H2)phenyl]-L-alanin [German] [ACD/IUPAC Name]
N-[4-Hydroxy(3,5-2H2)phenyl]-L-alanine [ACD/IUPAC Name]
N-[4-Hydroxy(3,5-2H2)phényl]-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 433.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.8±24.6 °C
Index of Refraction: 1.636
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 135.3±3.0 cm3

Click to predict properties on the Chemicalize site


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