ChemSpider 2D Image | (1S,5R)-6-Azabicyclo[3.2.1]octane | C7H13N

(1S,5R)-6-Azabicyclo[3.2.1]octane

  • Molecular FormulaC7H13N
  • Average mass111.185 Da
  • Monoisotopic mass111.104797 Da
  • ChemSpider ID21403202
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,5R)-6-Azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1S,5R)-6-Azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1S,5R)-6-Azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
380228-02-4 [RN]
6-Azabicyclo[3.2.1]octane, (1S,5R)- [ACD/Index Name]
6-Aza-bicyclo[3.2.1]octane
6-AZABICYCLO-[3.2.1]-OCTANE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 169.9±8.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 48.2±16.5 °C
Index of Refraction: 1.478
Molar Refractivity: 33.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 119.0±3.0 cm3

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