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

N-(Nitroacetyl)-β-alanine

  • Molecular FormulaC5H8N2O5
  • Average mass176.127 Da
  • Monoisotopic mass176.043320 Da
  • ChemSpider ID34777723

More details:






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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 254.8±24.6 °C
Index of Refraction: 1.497
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.37
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: 58.8±3.0 dyne/cm
Molar Volume: 124.4±3.0 cm3

Click to predict properties on the Chemicalize site






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