ChemSpider 2D Image | (3s,5s,7s)-N-(3-Aminophenyl)-1-adamantanecarboxamide | C17H22N2O

(3s,5s,7s)-N-(3-Aminophenyl)-1-adamantanecarboxamide

  • Molecular FormulaC17H22N2O
  • Average mass270.369 Da
  • Monoisotopic mass270.173218 Da
  • ChemSpider ID110449882

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-N-(3-Aminophenyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(3s,5s,7s)-N-(3-Aminophenyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
(3s,5s,7s)-N-(3-Aminophényl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-(3-aminophenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±24.0 °C
Index of Refraction: 1.668
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 107.78
ACD/KOC (pH 5.5): 968.36
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.17
ACD/KOC (pH 7.4): 1052.75
Polar Surface Area: 55 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 215.1±3.0 cm3

Click to predict properties on the Chemicalize site


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