Quinuclidine

• CAS: 100-76-5
• Catalog Number: ACM100765
• Category: Other Products
• Molecular Weight: 111.18
• Molecular Formula: C7H13N
• Synonyms: 1-Azabicyclo[2.2.2]octane
• IUPAC Name: 1-azabicyclo[2.2.2]octane
• 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
• Active Content: 95%
• 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

Custom Q&A

What is the molecular formula of quinuclidine?

The molecular formula of quinuclidine is C7H13N.

When was quinuclidine created and modified?

Quinuclidine was created on 2005-03-26 and modified on 2023-12-30.

What are some synonyms for quinuclidine?

Some synonyms for quinuclidine are QUINUCLIDINE, 1-Azabicyclo[2.2.2]octane, 1,4-Ethanopiperidine, and 1,4-Ethylenepiperidine.

What is the molecular weight of quinuclidine?

The molecular weight of quinuclidine is 111.18 g/mol.

What is the InChIKey of quinuclidine?

The InChIKey of quinuclidine is SBYHFKPVCBCYGV-UHFFFAOYSA-N.

How many hydrogen bond donors does quinuclidine have?

Quinuclidine does not have any hydrogen bond donors.

What is the topological polar surface area of quinuclidine?

The topological polar surface area of quinuclidine is 3.2 Ų.

How many defined atom stereocenters does quinuclidine have?

Quinuclidine does not have any defined atom stereocenters.

What is the XLogP3 value of quinuclidine?

The XLogP3 value of quinuclidine is 1.4.

What is the complexity value of quinuclidine?

The complexity value of quinuclidine is 71.4.