ChemSpider 2D Image | N-(2-Acetylphenyl)-beta-alanine | C11H13NO3

N-(2-Acetylphenyl)-β-alanine

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID24741063

More details:

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

N-(2-Acetylphenyl)-β-alanin [German] [ACD/IUPAC Name]
N-(2-Acetylphenyl)-β-alanine [ACD/IUPAC Name]
N-(2-Acétylphényl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(2-acetylphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 428.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 212.9±24.6 °C
Index of Refraction: 1.590
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.96
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 168.1±3.0 cm3

Click to predict properties on the Chemicalize site


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