ChemSpider 2D Image | 1,1'-{2,2-Propanediylbis[(2,6-dimethyl-4,1-phenylene)oxy]}bis[3-(1-azepanyl)-2-propanol] | C37H58N2O4

1,1'-{2,2-Propanediylbis[(2,6-dimethyl-4,1-phenylene)oxy]}bis[3-(1-azepanyl)-2-propanol]

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID26361875

More details:

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

1,1'-{2,2-Propandiylbis[(2,6-dimethyl-4,1-phenylen)oxy]}bis[3-(1-azepanyl)-2-propanol] [German] [ACD/IUPAC Name]
1,1'-{2,2-Propanediylbis[(2,6-dimethyl-4,1-phenylene)oxy]}bis[3-(1-azepanyl)-2-propanol] [ACD/IUPAC Name]
1,1'-{2,2-Propanediylbis[(2,6-diméthyl-4,1-phénylène)oxy]}bis[3-(1-azépanyl)-2-propanol] [French] [ACD/IUPAC Name]
1H-Azepine-1-ethanol, α,α'-[(1-methylethylidene)bis[(2,6-dimethyl-4,1-phenylene)oxymethylene]]bis[hexahydro- [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: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.62
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 25.41
ACD/KOC (pH 5.5): 24.20
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 626.22
ACD/KOC (pH 7.4): 596.39
Polar Surface Area: 65 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 560.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement