ChemSpider 2D Image | 3-[(Chloroacetyl)amino]alanine | C5H9ClN2O3

3-[(Chloroacetyl)amino]alanine

  • Molecular FormulaC5H9ClN2O3
  • Average mass180.590 Da
  • Monoisotopic mass180.030167 Da
  • ChemSpider ID26504687

More details:






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

3-[(2-Chloroacétyl)amino]alanine [French] [ACD/IUPAC Name]
3-[(Chloracetyl)amino]alanin [German] [ACD/IUPAC Name]
3-[(Chloroacetyl)amino]alanine [ACD/IUPAC Name]
Alanine, 3-[(2-chloroacetyl)amino]- [ACD/Index Name]
859059-29-3 [RN]
MFCD20628841

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

Density: 1.4±0.1 g/cm3
Boiling Point: 452.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 227.3±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 38.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 127.1±3.0 cm3

Click to predict properties on the Chemicalize site






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