ChemSpider 2D Image | N-(Nitroacetyl)alanine | C5H8N2O5

N-(Nitroacetyl)alanine

  • Molecular FormulaC5H8N2O5
  • Average mass176.127 Da
  • Monoisotopic mass176.043320 Da
  • ChemSpider ID34777790

More details:






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

Alanine, N-(2-nitroacetyl)- [ACD/Index Name]
N-(2-Nitroacétyl)alanine [French] [ACD/IUPAC Name]
N-(Nitroacetyl)alanin [German] [ACD/IUPAC Name]
N-(Nitroacetyl)alanine [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 475.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 241.2±24.6 °C
Index of Refraction: 1.495
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 124.8±3.0 cm3

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