ChemSpider 2D Image | (2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid | C6H9NO2

(2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid

  • Molecular FormulaC6H9NO2
  • Average mass127.141 Da
  • Monoisotopic mass127.063332 Da
  • ChemSpider ID34066490

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,5R)-3-Azabicyclo[3.1.0]hexan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, (2S,5R)- [ACD/Index Name]
Acide (2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,2R,5S)-rel-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
(1R,2R,5S)-Rel-3-Azabicyclo-[3.1.0]hexane-2-carboxylic acid
1902192-11-3 [RN]
72029-78-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 280.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.1±6.0 kJ/mol
Flash Point: 123.3±22.6 °C
Index of Refraction: 1.551
Molar Refractivity: 30.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 95.8±3.0 cm3

Click to predict properties on the Chemicalize site


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