ChemSpider 2D Image | 3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyaniline | C17H23NO

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

  • Molecular FormulaC17H23NO
  • Average mass257.371 Da
  • Monoisotopic mass257.177979 Da
  • ChemSpider ID97404248

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyanilin [German] [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyaniline [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-4-méthoxyaniline [French] [ACD/IUPAC Name]
Benzenamine, 4-methoxy-3-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: 1.1±0.1 g/cm3
Boiling Point: 420.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 212.8±20.0 °C
Index of Refraction: 1.606
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 373.36
ACD/KOC (pH 5.5): 2150.09
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 557.55
ACD/KOC (pH 7.4): 3210.79
Polar Surface Area: 35 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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