ChemSpider 2D Image | (1r,3r,5r,7r)-N-Benzyl-2-adamantanamine | C17H23N

(1r,3r,5r,7r)-N-Benzyl-2-adamantanamine

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID37779778

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-N-Benzyl-2-adamantanamin [German] [ACD/IUPAC Name]
(1r,3r,5r,7r)-N-Benzyl-2-adamantanamine [ACD/IUPAC Name]
(1r,3r,5r,7r)-N-Benzyl-2-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-amine, N-(phenylmethyl)- [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: 358.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 177.5±14.7 °C
Index of Refraction: 1.582
Molar Refractivity: 75.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 7.31
ACD/KOC (pH 7.4): 32.31
Polar Surface Area: 12 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

Click to predict properties on the Chemicalize site


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