ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-yl]-4,5-dimethoxyaniline | C18H25NO2

2-[(3s,5s,7s)-Adamantan-1-yl]-4,5-dimethoxyaniline

  • Molecular FormulaC18H25NO2
  • Average mass287.397 Da
  • Monoisotopic mass287.188538 Da
  • ChemSpider ID110449889

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3s,5s,7s)-Adamantan-1-yl]-4,5-dimethoxyanilin [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4,5-dimethoxyaniline [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4,5-diméthoxyaniline [French] [ACD/IUPAC Name]
Benzenamine, 4,5-dimethoxy-2-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 235.5±36.0 °C
Index of Refraction: 1.592
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 404.27
ACD/KOC (pH 5.5): 2438.74
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 475.44
ACD/KOC (pH 7.4): 2868.08
Polar Surface Area: 44 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 248.7±3.0 cm3

Click to predict properties on the Chemicalize site


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