ChemSpider 2D Image | (3s,5s,7s)-N-(4-Pyridinylmethyl)-1-adamantanamine | C16H22N2

(3s,5s,7s)-N-(4-Pyridinylmethyl)-1-adamantanamine

  • Molecular FormulaC16H22N2
  • Average mass242.359 Da
  • Monoisotopic mass242.178299 Da
  • ChemSpider ID97403647

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-N-(4-Pyridinylmethyl)-1-adamantanamin [German] [ACD/IUPAC Name]
(3s,5s,7s)-N-(4-Pyridinylmethyl)-1-adamantanamine [ACD/IUPAC Name]
(3s,5s,7s)-N-(4-Pyridinylméthyl)-1-adamantanamine [French] [ACD/IUPAC Name]
4-Pyridinemethanamine, N-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: 375.4±17.0 °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: 180.8±20.9 °C
Index of Refraction: 1.587
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 35.51
Polar Surface Area: 25 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 217.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement