ChemSpider 2D Image | Adamantan-1-yl-(2-methoxy-benzyl)-amine | C18H25NO

Adamantan-1-yl-(2-methoxy-benzyl)-amine

  • Molecular FormulaC18H25NO
  • Average mass271.397 Da
  • Monoisotopic mass271.193604 Da
  • ChemSpider ID26500004

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-N-(2-Methoxybenzyl)-1-adamantanamin [German] [ACD/IUPAC Name]
(3s,5s,7s)-N-(2-Methoxybenzyl)-1-adamantanamine [ACD/IUPAC Name]
(3s,5s,7s)-N-(2-Méthoxybenzyl)-1-adamantanamine [French] [ACD/IUPAC Name]
332108-40-4 [RN]
Adamantan-1-yl-(2-methoxy-benzyl)-amine
Tricyclo[3.3.1.13,7]decan-1-amine, N-[(2-methoxyphenyl)methyl]- [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: 381.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 162.5±10.4 °C
Index of Refraction: 1.577
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 11.48
Polar Surface Area: 21 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

Click to predict properties on the Chemicalize site


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