Found 4 results

Search term: WCTCMYLESNOTNP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3-endo)-8-(Methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine | C8H16N2O2S

(3-endo)-8-(Methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine

  • Molecular FormulaC8H16N2O2S
  • Average mass204.290 Da
  • Monoisotopic mass204.093246 Da
  • ChemSpider ID71061537

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-8-(Methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amin [German] [ACD/IUPAC Name]
(3-endo)-8-(Methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine [ACD/IUPAC Name]
(3-endo)-8-(Méthylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-amine, 8-(methylsulfonyl)-, (3-endo) [ACD/Index Name]
(1R,3R,5S)-rel-8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 332.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.9±30.7 °C
Index of Refraction: 1.572
Molar Refractivity: 51.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 155.7±5.0 cm3

Click to predict properties on the Chemicalize site


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