ChemSpider 2D Image | 4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[2-(1-piperidinyl)ethoxy]benzyl}-4-azepanol | C29H42N2O3

4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[2-(1-piperidinyl)ethoxy]benzyl}-4-azepanol

  • Molecular FormulaC29H42N2O3
  • Average mass466.655 Da
  • Monoisotopic mass466.319550 Da
  • ChemSpider ID68719516

More details:

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

1H-Azepin-4-ol, 4-[(2,4-dimethylphenoxy)methyl]hexahydro-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]- [ACD/Index Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[2-(1-piperidinyl)ethoxy]benzyl}-4-azepanol [German] [ACD/IUPAC Name]
4-[(2,4-Dimethylphenoxy)methyl]-1-{4-[2-(1-piperidinyl)ethoxy]benzyl}-4-azepanol [ACD/IUPAC Name]
4-[(2,4-Diméthylphénoxy)méthyl]-1-{4-[2-(1-pipéridinyl)éthoxy]benzyl}-4-azépanol [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: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 20.73
ACD/KOC (pH 7.4): 72.20
Polar Surface Area: 45 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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