N'-Methylnicotinium
TL;DR: N'-Methylnicotinium (CAS 17479-21-9) is a chemical compound with molecular formula C11H17N2+ and molecular weight 177.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine
Also Known As: N'-Methylnicotinium, N/'-methylnicotinium, 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine, 1,1-Dimethyl-2-(3-pyridyl)pyrrolidinium, 1,1-Dimethyl-2-(3-pyridinyl)pyrrolidinium
| Molecular Formula | C11H17N2+ |
|---|---|
| Molecular Weight | 177.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.13918 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 17479-21-9 |
|---|---|
| SMILES | C[N+]1(CCCC1C2=CN=CC=C2)C |
| InChIKey | WYBBYUGHCIQZBV-UHFFFAOYSA-N |
Product Overview
N'-Methylnicotinium (CAS 17479-21-9), with molecular formula C11H17N2+ and molecular weight 177.14 g/mol. IUPAC: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine.
Chemical Property Profile of N'-Methylnicotinium
Property Insights of N'-Methylnicotinium
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-Methylnicotinium. With a topological polar surface area (TPSA) of 12.9 Ų, N'-Methylnicotinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-Methylnicotinium 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
Frequently Asked Questions
What is the CAS number of N'-Methylnicotinium?
The CAS number of N'-Methylnicotinium is 17479-21-9.
What is the molecular formula of N'-Methylnicotinium?
The molecular formula of N'-Methylnicotinium is C11H17N2+.
What is the molecular weight of N'-Methylnicotinium?
The molecular weight of N'-Methylnicotinium is 177.14 g/mol.
Where can I buy N'-Methylnicotinium?
You can request a quote for N'-Methylnicotinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-Methylnicotinium?
Yes, KEHONG BIO provides custom synthesis services for N'-Methylnicotinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.