ChemSpider 2D Image | 2-[(2-Benzoylphenyl)amino]-3-(4-{2-[methyl(2-pyridiniumyl)amino]ethoxy}phenyl)propanoate | C30H29N3O4

2-[(2-Benzoylphenyl)amino]-3-(4-{2-[methyl(2-pyridiniumyl)amino]ethoxy}phenyl)propanoate

  • Molecular FormulaC30H29N3O4
  • Average mass495.569 Da
  • Monoisotopic mass495.215820 Da
  • ChemSpider ID21202130

More details:

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

2-[(2-Benzoylphenyl)amino]-3-(4-{2-[methyl(2-pyridiniumyl)amino]ethoxy}phenyl)propanoat [German] [ACD/IUPAC Name]
2-[(2-Benzoylphenyl)amino]-3-(4-{2-[methyl(2-pyridiniumyl)amino]ethoxy}phenyl)propanoate [ACD/IUPAC Name]
2-[(2-Benzoylphényl)amino]-3-(4-{2-[méthyl(2-pyridiniumyl)amino]éthoxy}phényl)propanoate [French] [ACD/IUPAC Name]
Tyrosine, N-(2-benzoylphenyl)-O-[2-(methyl-2-pyridiniumylamino)ethyl]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 40.73
ACD/KOC (pH 5.5): 105.86
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 6.58
ACD/KOC (pH 7.4): 17.10
Polar Surface Area: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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