Found 3 results

Search term: MLFKFKHFVQWDDY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1s,3s,5R,7S)-N,3-Dimethyl-1-adamantanamine | C12H21N

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

  • Molecular FormulaC12H21N
  • Average mass179.302 Da
  • Monoisotopic mass179.167404 Da
  • ChemSpider ID33287212

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3s,5R,7S)-N,3-Dimethyl-1-adamantanamin [German] [ACD/IUPAC Name]
(1s,3s,5R,7S)-N,3-Dimethyl-1-adamantanamine [ACD/IUPAC Name]
(1s,3s,5R,7S)-N,3-Diméthyl-1-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-1-amine, N,3-dimethyl-, (5R,7S)- [ACD/Index Name]
(5R,7S)-N,3-DIMETHYLADAMANTAN-1-AMINE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 232.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 87.9±15.8 °C
Index of Refraction: 1.523
Molar Refractivity: 55.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 12 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 180.3±5.0 cm3

Click to predict properties on the Chemicalize site


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