Nicotine 1'-N-oxide
TL;DR: Nicotine 1'-N-oxide (CAS 491-26-9) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine
Also Known As: Oxynicotine, N-Oxynicotine, nicotine-1'-N-oxide, nicotine N'-oxide, Nicotine 1'-N-oxide
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 491-26-9 |
|---|---|
| SMILES | C[N+]1(CCC[C@H]1C2=CN=CC=C2)[O-] |
| InChIKey | RWFBQHICRCUQJJ-NUHJPDEHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotine 1'-N-oxide (CAS 491-26-9), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: 3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine.
Chemical Property Profile of Nicotine 1'-N-oxide
Property Insights of Nicotine 1'-N-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotine 1'-N-oxide. With a topological polar surface area (TPSA) of 31.0 Ų, Nicotine 1'-N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotine 1'-N-oxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicotine 1'-N-oxide?
The CAS number of Nicotine 1'-N-oxide is 491-26-9.
What is the molecular formula of Nicotine 1'-N-oxide?
The molecular formula of Nicotine 1'-N-oxide is C10H14N2O.
What is the molecular weight of Nicotine 1'-N-oxide?
The molecular weight of Nicotine 1'-N-oxide is 178.11 g/mol.
Where can I buy Nicotine 1'-N-oxide?
You can request a quote for Nicotine 1'-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotine 1'-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Nicotine 1'-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.