1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanone
[CAS# 85514-42-7]

Identification

• Name: 1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanone
• Synonyms: (±)-Anatoxin A fumarate; 1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.23
• CAS Registry Number: 85514-42-7
• SMILES: CC(=O)C1=CCCC2CCC1N2
• InChI: 1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
• InChIKey: SGNXVBOIDPPRJJ-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 291.0±23.0°C at 760 mmHg (Cal.)
• Flash point: 124.7±22.8°C (Cal.)

References

• (1): Stephen J. Roe and Robert A. StockmanPresent address: School of Chemistry, University of Nottingham, Nottingham, UK NG7 2RD. E-mail: robert.stockman@nottingham.ac.uk; Fax: +44 (0) 1159513564; Tel: +44 (0) 1159513252.. A two-directional approach to the anatoxin alkaloids: second synthesis of homoanatoxin and efficient synthesis of anatoxin-a, Chem. Commun., 2008, 0, 3432.