ChemSpider 2D Image | 1-(Adamantan-1-yl)-N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}ethanamine | C29H39NO2

1-(Adamantan-1-yl)-N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}ethanamine

  • Molecular FormulaC29H39NO2
  • Average mass433.625 Da
  • Monoisotopic mass433.298065 Da
  • ChemSpider ID21536279

More details:

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

1-(Adamantan-1-yl)-N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}ethanamin [German] [ACD/IUPAC Name]
1-(Adamantan-1-yl)-N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}ethanamine [ACD/IUPAC Name]
1-(Adamantan-1-yl)-N-{3-éthoxy-4-[(4-méthylbenzyl)oxy]benzyl}éthanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanamine, N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-α-methyl- [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: 546.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 244.0±18.2 °C
Index of Refraction: 1.575
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 97.84
ACD/KOC (pH 5.5): 131.11
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1830.55
ACD/KOC (pH 7.4): 2453.06
Polar Surface Area: 30 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

Click to predict properties on the Chemicalize site


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