ChemSpider 2D Image | 2-[(3R,5S)-Adamantan-1-yl]-5-methylaniline | C17H23N

2-[(3R,5S)-Adamantan-1-yl]-5-methylaniline

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID57302968

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3R,5S)-Adamantan-1-yl]-5-methylanilin [German] [ACD/IUPAC Name]
2-[(3R,5S)-Adamantan-1-yl]-5-methylaniline [ACD/IUPAC Name]
2-[(3R,5S)-Adamantan-1-yl]-5-méthylaniline [French] [ACD/IUPAC Name]
Benzenamine, 5-methyl-2-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
2-(1-ADAMANTYL)-5-METHYLANILINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 378.1±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 190.7±17.4 °C
Index of Refraction: 1.614
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1313.01
ACD/KOC (pH 5.5): 5750.61
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1467.78
ACD/KOC (pH 7.4): 6428.50
Polar Surface Area: 26 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

Click to predict properties on the Chemicalize site


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