ChemSpider 2D Image | N-{3-Ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-adamantanamine | C27H35NO2

N-{3-Ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-adamantanamine

  • Molecular FormulaC27H35NO2
  • Average mass405.572 Da
  • Monoisotopic mass405.266785 Da
  • ChemSpider ID21536478

More details:

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

N-{3-Ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-adamantanamin [German] [ACD/IUPAC Name]
N-{3-Ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-adamantanamine [ACD/IUPAC Name]
N-{3-Éthoxy-4-[(4-méthylbenzyl)oxy]benzyl}-2-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-amine, N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]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: 538.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 235.6±18.2 °C
Index of Refraction: 1.593
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 27.43
ACD/KOC (pH 5.5): 51.57
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 379.97
ACD/KOC (pH 7.4): 714.46
Polar Surface Area: 30 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

Click to predict properties on the Chemicalize site


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