Quinuclidine

• Catalog Number: ACM100765
• Product Name: Quinuclidine
• CAS: 100-76-5
• Category: Heterocyclic Organic Compound
• Synonyms: 1-Azabicyclo[2.2.2]octane
• IUPAC Name: 1-azabicyclo[2.2.2]octane
• Molecular Weight: 111.18
• Molecular Formula: C7H13N
• Canonical SMILES: C1CN2CCC1CC2
• InChI: InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
• InChI Key: SBYHFKPVCBCYGV-UHFFFAOYSA-N
• Melting Point: 158.0°C
• Complexity: 71.4
• Covalently-Bonded Unit Count: 1
• EC Number: 202-887-1
• Exact Mass: 111.105g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 8
• Monoisotopic Mass: 111.105g/mol
• Octanol Water Partition Coefficient: 1.38 (LogP)
• Physical State: Solid
• Topological Polar Surface Area: 3.2A^2
• UNII: XFX99FC5VI
• Vapor Pressure: 1.91 mmHg