ChemSpider 2D Image | (1S,2R,5R)-2-Methoxy-3-oxa-6-azabicyclo[3.1.0]hexane | C5H9NO2

(1S,2R,5R)-2-Methoxy-3-oxa-6-azabicyclo[3.1.0]hexane

  • Molecular FormulaC5H9NO2
  • Average mass115.131 Da
  • Monoisotopic mass115.063332 Da
  • ChemSpider ID32990236

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,5R)-2-Methoxy-3-oxa-6-azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1S,2R,5R)-2-Methoxy-3-oxa-6-azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1S,2R,5R)-2-Méthoxy-3-oxa-6-azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
3-Oxa-6-azabicyclo[3.1.0]hexane, 2-methoxy-, (1S,2R,5R)- [ACD/Index Name]
156095-43-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 166.7±35.0 °C at 760 mmHg
Vapour Pressure: 1.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.3±3.0 kJ/mol
Flash Point: 52.8±15.4 °C
Index of Refraction: 1.498
Molar Refractivity: 28.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.06
Polar Surface Area: 40 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 35.2±5.0 dyne/cm
Molar Volume: 96.0±5.0 cm3

Click to predict properties on the Chemicalize site


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