Found 1 result

Search term: PLWVRKXVJAWSNL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-{2-Oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}-beta-alanine | C11H11Cl3N2O3

N-{2-Oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}-β-alanine

  • Molecular FormulaC11H11Cl3N2O3
  • Average mass325.576 Da
  • Monoisotopic mass323.983521 Da
  • ChemSpider ID33214705

More details:






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

N-{2-Oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}-β-alanine [ACD/IUPAC Name]
N-{2-Oxo-2-[(2,4,5-trichlorophényl)amino]éthyl}-β-alanine [French] [ACD/IUPAC Name]
N-{2-Oxo-2-[(2,4,5-trichlorphenyl)amino]ethyl}-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-[2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl]- [ACD/Index Name]
3-({[(2,4,5-trichlorophenyl)carbamoyl]methyl}amino)propanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 211.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement