Dihydrochloride nicotine
TL;DR: Dihydrochloride nicotine (CAS 28357-52-0) is a chemical compound with molecular formula C10H16Cl2N2 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrrolidin-2-yl)pyridine;dihydrochloride
Also Known As: Nicotine dihydrochloride, dihydrochloride nicotine, 3-(1-methylpyrrolidin-2-yl)pyridine dihydrochloride, 3-(1-Methyl-2-pyrrolidinyl)pyridine dihydrochloride (S)-, 3-(1-Methylpyrrolidin-2-yl)pyridine--hydrogen chloride (1/2)
| Molecular Formula | C10H16Cl2N2 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 16.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.06906 |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 28357-52-0 |
|---|---|
| SMILES | CN1CCCC1C2=CN=CC=C2.Cl.Cl |
| InChIKey | MQWJVKLIBZWVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydrochloride nicotine (CAS 28357-52-0), with molecular formula C10H16Cl2N2 and molecular weight 234.07 g/mol. IUPAC: 3-(1-methylpyrrolidin-2-yl)pyridine;dihydrochloride.
Chemical Property Profile of Dihydrochloride nicotine
Property Insights of Dihydrochloride nicotine
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrochloride nicotine. With a topological polar surface area (TPSA) of 16.1 Ų, Dihydrochloride nicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrochloride nicotine has 2 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 Dihydrochloride nicotine?
The CAS number of Dihydrochloride nicotine is 28357-52-0.
What is the molecular formula of Dihydrochloride nicotine?
The molecular formula of Dihydrochloride nicotine is C10H16Cl2N2.
What is the molecular weight of Dihydrochloride nicotine?
The molecular weight of Dihydrochloride nicotine is 234.07 g/mol.
Where can I buy Dihydrochloride nicotine?
You can request a quote for Dihydrochloride nicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrochloride nicotine?
Yes, KEHONG BIO provides custom synthesis services for Dihydrochloride nicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.