N-allyl-3-quinuclidinol
TL;DR: N-allyl-3-quinuclidinol (CAS 113480-17-4) is a chemical compound with molecular formula C10H18NO+ and molecular weight 168.13884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-ol
Also Known As: N-Allyl-3-quinuclidinol, N,3-Naq, 1-(2-Propenyl)-3-hydroxyquinuclidinium, 1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-ol, 1-Arizoniabicyclo(2.2.2)octane, 3-hydroxy-1-(2-propenyl)-
Technical Specifications
| Molecular Formula | C10H18NO+ |
| Molecular Weight | 168.13884 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.13884 Da |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
| SMILES | C=CC[N+]12CCC(CC1)C(C2)O |
| InChIKey | USNHRGULVPUURO-UHFFFAOYSA-N |
Chemical Property Profile of N-allyl-3-quinuclidinol
Property Insights of N-allyl-3-quinuclidinol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-3-quinuclidinol. With a topological polar surface area (TPSA) of 20.2 Ų, N-allyl-3-quinuclidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-3-quinuclidinol has 1 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 N-allyl-3-quinuclidinol?
The CAS number of N-allyl-3-quinuclidinol is 113480-17-4.
What is the molecular formula of N-allyl-3-quinuclidinol?
The molecular formula of N-allyl-3-quinuclidinol is C10H18NO+.
What is the molecular weight of N-allyl-3-quinuclidinol?
The molecular weight of N-allyl-3-quinuclidinol is 168.13884 g/mol.
Where can I buy N-allyl-3-quinuclidinol?
You can request a quote for N-allyl-3-quinuclidinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-allyl-3-quinuclidinol?
Yes, CoreyChem provides custom synthesis services for N-allyl-3-quinuclidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.