Quinuclidine
TL;DR: Quinuclidine (CAS 100-76-5) is a chemical compound with molecular formula C7H13N and molecular weight 111.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octane
Also Known As: QUINUCLIDINE, 1-Azabicyclo[2.2.2]octane, Chinuclidin, 1,4-Ethanopiperidine, 1,4-Ethylenepiperidine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1048 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.1048 Da |
| Heavy Atoms | 8 |
| Complexity | 71.0 |
| SMILES | C1CN2CCC1CC2 |
| InChIKey | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
Product Description
Applications: Quinuclidine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Quinuclidine (CAS 100-76-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Quinuclidine is a heterocyclic building block identified by CAS number 100-76-5 and the molecular formula C7H13N and a molecular weight of 111.1 g/mol. It is also known as QUINUCLIDINE and 1-Azabicyclo[2.2.2]octane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Quinuclidine
Property Insights of Quinuclidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidine. With a topological polar surface area (TPSA) of 3.2 Ų, Quinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Quinuclidine?
The CAS number of Quinuclidine is 100-76-5.
What is the molecular formula of Quinuclidine?
The molecular formula of Quinuclidine is C7H13N.
What is the molecular weight of Quinuclidine?
The molecular weight of Quinuclidine is 111.1048 g/mol.
What are the applications of Quinuclidine?
Quinuclidine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Quinuclidine (CAS 100-76-5) with custom...
Where can I buy Quinuclidine?
You can request a quote for Quinuclidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinuclidine?
Yes, CoreyChem provides custom synthesis services for Quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.