Paraquat
TL;DR: Paraquat (CAS 4685-14-7) is a chemical compound with molecular formula C12H14N2+2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
Also Known As: PARAQUAT, Paraquat ion, Paraquat dication, Starfire, Dimethyl viologen
| Molecular Formula | C12H14N2+2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
| Melting Point | Colorless crystals; mp: 300 °C (decomposes); very soluble in water, slightly soluble in lower alcohols. Insoluble in hydrocarbons. Hydrolyzed by alkali. Inactivated by inert clays and anionic surfactants; corrosive to metal; non-volatile /Paraquat dichloride/ |
| Boiling Point | Boiling point (760 mm Hg): Decomposes at 175-180 °C (347-215.6 °C) |
| Density | 1.24 |
| Solubility | In water, 6.2X10+5 mg/L at 20 °C |
| Vapor Pressure | 0.0000001 [mmHg] |
Chemical Identifiers
| CAS Number | 4685-14-7 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C |
| InChIKey | INFDPOAKFNIJBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Paraquat (CAS 4685-14-7), with molecular formula C12H14N2+2 and molecular weight 186.12 g/mol. IUPAC: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium.
Chemical Property Profile of Paraquat
Property Insights of Paraquat
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paraquat. With a topological polar surface area (TPSA) of 7.8 Ų, Paraquat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paraquat has 0 hydrogen bond donor(s) and 0 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 Paraquat?
The CAS number of Paraquat is 4685-14-7.
What is the molecular formula of Paraquat?
The molecular formula of Paraquat is C12H14N2+2.
What is the molecular weight of Paraquat?
The molecular weight of Paraquat is 186.12 g/mol.
Where can I buy Paraquat?
You can request a quote for Paraquat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paraquat?
Yes, KEHONG BIO provides custom synthesis services for Paraquat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.