ChemSpider 2D Image | N-(2,4-Dinitrophenyl)-D-alanine | C9H9N3O6

N-(2,4-Dinitrophenyl)-D-alanine

  • Molecular FormulaC9H9N3O6
  • Average mass255.184 Da
  • Monoisotopic mass255.049133 Da
  • ChemSpider ID78273109

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-(2,4-dinitrophenyl)- [ACD/Index Name]
N-(2,4-Dinitrophenyl)-D-alanin [German] [ACD/IUPAC Name]
N-(2,4-Dinitrophenyl)-D-alanine [ACD/IUPAC Name]
N-(2,4-Dinitrophényl)-D-alanine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 160.6±3.0 cm3

Click to predict properties on the Chemicalize site


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