ChemSpider 2D Image | 3,3'-{1,6-Hexanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol | C34H52N2O2

3,3'-{1,6-Hexanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol

  • Molecular FormulaC34H52N2O2
  • Average mass520.789 Da
  • Monoisotopic mass520.402893 Da
  • ChemSpider ID23317876

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,3'-{1,6-Hexandiylbis[(3S)-3-ethyl-1,3-azepandiyl]}diphenol [German] [ACD/IUPAC Name]
3,3'-{1,6-Hexanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol [ACD/IUPAC Name]
3,3'-{1,6-Hexanediylbis[(3S)-3-éthyl-1,3-azépanediyl]}diphénol [French] [ACD/IUPAC Name]
3,3'-{hexane-1,6-diylbis[(3S)-3-ethylazepane-1,3-diyl]}diphenol
Phenol, 3,3'-[1,6-hexanediylbis[(3S)-3-ethylhexahydro-1H-azepine-1,3-diyl]]bis- [ACD/Index Name]
N,N'-(1',6-hexylene)-bis-(-)-nor-MEP

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

Density: 1.0±0.1 g/cm3
Boiling Point: 656.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 312.5±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 80.47
ACD/KOC (pH 5.5): 55.04
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 146.93
ACD/KOC (pH 7.4): 100.50
Polar Surface Area: 47 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 507.4±3.0 cm3

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