1-(Cyanomethyl)-3-methylimidazolium chloride
TL;DR: 1-(Cyanomethyl)-3-methylimidazolium chloride (CAS 154312-63-7) is a chemical compound with molecular formula C6H8ClN3 and molecular weight 157.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylimidazol-3-ium-1-yl)acetonitrile chloride
Also Known As: starbld0009424, 1-(CYANOMETHYL)-3-METHYLIMIDAZOLIUM CHLORIDE, 1-(cyanomethyl)-3-methyl-1H-imidazol-3-ium chloride, [1-Methylnitrile-3-methylimidazolium]Cl, 1-cyanomethyl-3-methylimidazolium chloride
Technical Specifications
| Molecular Formula | C6H8ClN3 |
| Molecular Weight | 157.04068 g/mol |
| XLogP | -3.15982 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04068 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| SMILES | C[N+]1=CN(C=C1)CC#N.[Cl-] |
| InChIKey | WBDDQUDDZPKVRV-UHFFFAOYSA-M |
Chemical Property Profile of 1-(Cyanomethyl)-3-methylimidazolium chloride
Property Insights of 1-(Cyanomethyl)-3-methylimidazolium chloride
The XLogP value of -3.15982 indicates that 1-(Cyanomethyl)-3-methylimidazolium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.6 Ų, 1-(Cyanomethyl)-3-methylimidazolium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyanomethyl)-3-methylimidazolium chloride 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
What is the CAS number of 1-(Cyanomethyl)-3-methylimidazolium chloride?
The CAS number of 1-(Cyanomethyl)-3-methylimidazolium chloride is 154312-63-7.
What is the molecular formula of 1-(Cyanomethyl)-3-methylimidazolium chloride?
The molecular formula of 1-(Cyanomethyl)-3-methylimidazolium chloride is C6H8ClN3.
What is the molecular weight of 1-(Cyanomethyl)-3-methylimidazolium chloride?
The molecular weight of 1-(Cyanomethyl)-3-methylimidazolium chloride is 157.04068 g/mol.
Where can I buy 1-(Cyanomethyl)-3-methylimidazolium chloride?
You can request a quote for 1-(Cyanomethyl)-3-methylimidazolium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Cyanomethyl)-3-methylimidazolium chloride?
Yes, CoreyChem provides custom synthesis services for 1-(Cyanomethyl)-3-methylimidazolium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.