1-Methylimidazole
TL;DR: 1-Methylimidazole (CAS 616-47-7) is a chemical compound with molecular formula C4H6N2 and molecular weight 82.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylimidazole
Also Known As: 1-methylimidazole, 1-Methyl-1H-imidazole, N-Methylimidazole, methylimidazole, 1H-Imidazole, 1-methyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6N2 |
| Molecular Weight | 82.0531 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 82.0531 Da |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
| Purity | 99% |
| Melting Point | -6 |
| Boiling Point | 195.5 |
| Density | 1.0325 @25 °C |
| Vapor Pressure | 0.47 [mmHg] |
| Refractive Index | n20/D 1.495 (lit.) |
| Solubility | 1000000 |
| SMILES | CN1C=CN=C1 |
| InChIKey | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
Product Description
Applications: 1-Methylimidazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 99%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-Methylimidazole is a heterocyclic building block identified by CAS number 616-47-7 and the molecular formula C4H6N2 and a molecular weight of 82.05 g/mol. Physically, the compound has a density of 1.0325 @25 °C g/cm³, a solubility: 1000000. Synonyms include 1-methylimidazole and 1-Methyl-1H-imidazole.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H302, H311, H314, H361d
Chemical Property Profile of 1-Methylimidazole
Property Insights of 1-Methylimidazole
The XLogP value of -0.1 indicates that 1-Methylimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Methylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylimidazole 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
What is the CAS number of 1-Methylimidazole?
The CAS number of 1-Methylimidazole is 616-47-7.
What is the molecular formula of 1-Methylimidazole?
The molecular formula of 1-Methylimidazole is C4H6N2.
What is the molecular weight of 1-Methylimidazole?
The molecular weight of 1-Methylimidazole is 82.0531 g/mol.
What are the applications of 1-Methylimidazole?
1-Methylimidazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at 99%....
Where can I buy 1-Methylimidazole?
You can request a quote for 1-Methylimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylimidazole?
Yes, CoreyChem provides custom synthesis services for 1-Methylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.