ChemSpider 2D Image | (1R,5S)-3-Azabicyclo[3.1.0]hexane | C5H9N

(1R,5S)-3-Azabicyclo[3.1.0]hexane

  • Molecular FormulaC5H9N
  • Average mass83.132 Da
  • Monoisotopic mass83.073502 Da
  • ChemSpider ID32800849
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,5S)-3-Azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1R,5S)-3-Azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1R,5S)-3-Azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane, (1R,5S)- [ACD/Index Name]
154990-15-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 122.5±8.0 °C at 760 mmHg
Vapour Pressure: 13.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.0±3.0 kJ/mol
Flash Point: 15.8±16.5 °C
Index of Refraction: 1.498
Molar Refractivity: 24.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 9.7±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 83.5±3.0 cm3

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