ChemSpider 2D Image | 3,3'-{1,9-Nonanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol | C37H58N2O2

3,3'-{1,9-Nonanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol

  • Molecular FormulaC37H58N2O2
  • Average mass562.869 Da
  • Monoisotopic mass562.449829 Da
  • ChemSpider ID23317860

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,3'-{1,9-Nonandiylbis[(3S)-3-ethyl-1,3-azepandiyl]}diphenol [German] [ACD/IUPAC Name]
3,3'-{1,9-Nonanediylbis[(3S)-3-ethyl-1,3-azepanediyl]}diphenol [ACD/IUPAC Name]
3,3'-{1,9-Nonanediylbis[(3S)-3-éthyl-1,3-azépanediyl]}diphénol [French] [ACD/IUPAC Name]
3,3'-{nonane-1,9-diylbis[(3S)-3-ethylazepane-1,3-diyl]}diphenol
Phenol, 3,3'-[1,9-nonanediylbis[(3S)-3-ethylhexahydro-1H-azepine-1,3-diyl]]bis- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL406645/
N,N'-(1',9'-nonylene)-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: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 320.8±30.2 °C
Index of Refraction: 1.535
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 905.85
ACD/KOC (pH 5.5): 311.34
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 1571.24
ACD/KOC (pH 7.4): 540.04
Polar Surface Area: 47 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 556.9±3.0 cm3

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