ChemSpider 2D Image | (1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine | C12H21N

(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine

  • Molecular FormulaC12H21N
  • Average mass179.302 Da
  • Monoisotopic mass179.167404 Da
  • ChemSpider ID24997206

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamin [German] [ACD/IUPAC Name]
(1r,3R,5S,7r)-3,5-Dimethyl-1-adamantanamine [ACD/IUPAC Name]
(1r,3R,5S,7r)-3,5-Diméthyl-1-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-1-amine, 3,5-dimethyl-, (3R,5S)- [ACD/Index Name]
3,5-Dimethyl-1-aminoadamantane
memantine [INN] [Wiki]
MFCD00214336 [MDL number]

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

377 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 239.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 92.3±9.7 °C
Index of Refraction: 1.554
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 26 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 171.3±3.0 cm3

Click to predict properties on the Chemicalize site


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