Pseudooxynicotine
TL;DR: Pseudooxynicotine (CAS 2055-23-4) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(methylamino)-1-pyridin-3-ylbutan-1-one
Also Known As: pseudooxynicotine, 4-(methylamino)-1-(pyridin-3-yl)butan-1-one, 4-(methylamino)-1-(3-pyridyl)-1-butanone, 4-(methylamino)-1-pyridin-3-ylbutan-1-one, 4-(methylamino)-1-(3-pyridinyl)-1-butanone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.11061 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.11061 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| SMILES | CNCCCC(=O)C1=CN=CC=C1 |
| InChIKey | SGDIDUFQYHRMPR-UHFFFAOYSA-N |
Product Description
Applications: Pseudooxynicotine is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Pseudooxynicotine (CAS 2055-23-4) has the molecular formula C10H14N2O and a molecular weight of 178.11 g/mol. Synonyms include pseudooxynicotine and 4-(methylamino)-1-(pyridin-3-yl)butan-1-one.
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 Pseudooxynicotine
Property Insights of Pseudooxynicotine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudooxynicotine. With a topological polar surface area (TPSA) of 42.0 Ų, Pseudooxynicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudooxynicotine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pseudooxynicotine?
The CAS number of Pseudooxynicotine is 2055-23-4.
What is the molecular formula of Pseudooxynicotine?
The molecular formula of Pseudooxynicotine is C10H14N2O.
What is the molecular weight of Pseudooxynicotine?
The molecular weight of Pseudooxynicotine is 178.11061 g/mol.
What are the applications of Pseudooxynicotine?
Pseudooxynicotine is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy Pseudooxynicotine?
You can request a quote for Pseudooxynicotine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pseudooxynicotine?
Yes, CoreyChem provides custom synthesis services for Pseudooxynicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.