ChemSpider 2D Image | MFCD01075438 | C9H10DNO2

MFCD01075438

  • Molecular FormulaC9H10DNO2
  • Average mass166.195 Da
  • Monoisotopic mass166.085251 Da
  • ChemSpider ID8877553

  • 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

(α-2H)Phenylalanin [German] [ACD/IUPAC Name]
(α-2H)Phenylalanine [ACD/IUPAC Name]
(α-2H)Phénylalanine [French] [ACD/IUPAC Name]
54793-54-3 [RN]
L-PHENYLALANINE-2-D1
MFCD01075438
Phenylalanine-α-d [ACD/Index Name]
17942-32-4 [RN]
L-PHENYLALANINE (D8)
L-Phenyl-d5-alanine-2,3,3-d3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 139.8±24.6 °C
Index of Refraction: 1.576
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 137.4±3.0 cm3

Click to predict properties on the Chemicalize site


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