alpha-Nicotine
TL;DR: alpha-Nicotine (CAS 79733-05-4) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-2-yl)pyridine
Also Known As: o-Nicotine, alpha-Nicotine, ortho-Nicotine, .alpha.-Nicotine, 2-(1-methylpyrrolidin-2-yl)pyridine
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 79733-05-4 |
|---|---|
| SMILES | CN1CCCC1C2=CC=CC=N2 |
| InChIKey | AQCRXZYYMOXFAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Nicotine (CAS 79733-05-4), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: 2-(1-methylpyrrolidin-2-yl)pyridine.
Chemical Property Profile of alpha-Nicotine
Property Insights of alpha-Nicotine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Nicotine. With a topological polar surface area (TPSA) of 16.1 Ų, alpha-Nicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Nicotine 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 alpha-Nicotine?
The CAS number of alpha-Nicotine is 79733-05-4.
What is the molecular formula of alpha-Nicotine?
The molecular formula of alpha-Nicotine is C10H14N2.
What is the molecular weight of alpha-Nicotine?
The molecular weight of alpha-Nicotine is 162.12 g/mol.
Where can I buy alpha-Nicotine?
You can request a quote for alpha-Nicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Nicotine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Nicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.