ChemSpider 2D Image | 4-[(3s,5s,7s)-Adamantan-1-yl]-2-methylaniline | C17H23N

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

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID26495987

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(3s,5s,7s)-Adamantan-1-yl]-2-methylanilin [German] [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-yl]-2-methylaniline [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-yl]-2-méthylaniline [French] [ACD/IUPAC Name]
Benzenamine, 2-methyl-4-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
4-Adamantan-1-yl-2-methyl-phenylamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 375.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 188.9±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): 4.41
ACD/BCF (pH 5.5): 1294.49
ACD/KOC (pH 5.5): 5669.51
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1467.49
ACD/KOC (pH 7.4): 6427.20
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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