ChemSpider 2D Image | Methyl N-[(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)carbonyl]-beta-alaninate | C35H48N2O6

Methyl N-[(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)carbonyl]-β-alaninate

  • Molecular FormulaC35H48N2O6
  • Average mass592.765 Da
  • Monoisotopic mass592.351257 Da
  • ChemSpider ID8386130

More details:

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

Methyl N-[(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)carbonyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-[(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)carbonyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]carbonyl]-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 37.87
ACD/KOC (pH 5.5): 64.14
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 413.81
ACD/KOC (pH 7.4): 700.97
Polar Surface Area: 98 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 540.0±3.0 cm3

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