ChemSpider 2D Image | Ethyl N-[4-(1-pyrenyl)butanoyl]phenylalaninate | C31H29NO3

Ethyl N-[4-(1-pyrenyl)butanoyl]phenylalaninate

  • Molecular FormulaC31H29NO3
  • Average mass463.567 Da
  • Monoisotopic mass463.214752 Da
  • ChemSpider ID22547260

More details:

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

Ethyl N-[4-(1-pyrenyl)butanoyl]phenylalaninate [ACD/IUPAC Name]
Ethyl-N-[4-(1-pyrenyl)butanoyl]phenylalaninat [German] [ACD/IUPAC Name]
N-[4-(1-Pyrényl)butanoyl]phénylalaninate d'éthyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[1-oxo-4-(1-pyrenyl)butyl]-, ethyl ester [ACD/Index Name]
1331912-17-4 [RN]
ETHYL 3-PHENYL-2-[4-(PYREN-1-YL)BUTANAMIDO]PROPANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.4±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 125135.26
ACD/KOC (pH 5.5): 154982.39
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 125135.26
ACD/KOC (pH 7.4): 154982.39
Polar Surface Area: 55 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

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