1-甲基咪唑
TL;DR: 1-甲基咪唑 (CAS 616-47-7) is a chemical compound with molecular formula C4H6N2 and molecular weight 82.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基咪唑
1-methylimidazole
Also Known As: 1-methylimidazole, 1-Methyl-1H-imidazole, N-Methylimidazole, methylimidazole, 1H-Imidazole, 1-methyl-
| Molecular Formula | C4H6N2 |
|---|---|
| Molecular Weight | 82.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 82.0531 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
| Melting Point | -6 |
| Boiling Point | 195.5 |
| Density | 1.0325 @25 °C |
| Solubility | 1000000 |
| Vapor Pressure | 0.47 [mmHg] |
| Refractive Index | n20 1.495 (lit.) |
| GHS Signal | Danger |
| H-Statements | H302, H311, H314, H361d |
Chemical Identifiers
| CAS Number | 616-47-7 |
|---|---|
| SMILES | CN1C=CN=C1 |
| InChIKey | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基咪唑 (CAS 616-47-7), with molecular formula C4H6N2 and molecular weight 82.05 g/mol. IUPAC: 1-methylimidazole.
Chemical Property Profile of 1-甲基咪唑
Property Insights of 1-甲基咪唑
The XLogP value of -0.1 indicates that 1-甲基咪唑 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-甲基咪唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基咪唑 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 1-甲基咪唑?
The CAS number of 1-甲基咪唑 is 616-47-7.
What is the molecular formula of 1-甲基咪唑?
The molecular formula of 1-甲基咪唑 is C4H6N2.
What is the molecular weight of 1-甲基咪唑?
The molecular weight of 1-甲基咪唑 is 82.05 g/mol.
Where can I buy 1-甲基咪唑?
You can request a quote for 1-甲基咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基咪唑?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.