ChemSpider 2D Image | 5,5'-{1,5-Pentanediylbis[oxy(4-methoxy-2,1-phenylene)]}bis(N,N-diethyl-1,2-oxazol-3-amine) | C33H44N4O6

5,5'-{1,5-Pentanediylbis[oxy(4-methoxy-2,1-phenylene)]}bis(N,N-diethyl-1,2-oxazol-3-amine)

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID8730820

More details:

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

3-Isoxazolamine, 5,5'-[1,5-pentanediylbis[oxy(4-methoxy-2,1-phenylene)]]bis[N,N-diethyl- [ACD/Index Name]
5,5'-{1,5-Pentandiylbis[oxy(4-methoxy-2,1-phenylen)]}bis(N,N-diethyl-1,2-oxazol-3-amin) [German] [ACD/IUPAC Name]
5,5'-{1,5-Pentanediylbis[oxy(4-methoxy-2,1-phenylene)]}bis(N,N-diethyl-1,2-oxazol-3-amine) [ACD/IUPAC Name]
5,5'-{1,5-Pentanediylbis[oxy(4-méthoxy-2,1-phénylène)]}bis(N,N-diéthyl-1,2-oxazol-3-amine) [French] [ACD/IUPAC 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: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38179.65
ACD/KOC (pH 5.5): 66141.73
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38419.59
ACD/KOC (pH 7.4): 66557.41
Polar Surface Area: 95 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 520.5±3.0 cm3

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