1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
TL;DR: 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride (CAS 61413-61-4) is a chemical compound with molecular formula C17H31ClN2O2 and molecular weight 330.2074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride
Also Known As: NIOSH/NJ5047000, 1-((n-Dodecanoyloxy)methyl)-3-methylimidazolinium chloride, (3-methylimidazol-3-ium-1-yl)methyl dodecanoate chloride, 1-Methyl-3-(hydroxymethyl)imidazolium chloride laurate, 3-(Dodecanoyloxymethyl)-1-methyl-1H-imidazolium chloride
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H31ClN2O2 |
| Molecular Weight | 330.2074 g/mol |
| XLogP | 0.74 |
| Topological Polar Surface Area (TPSA) | 35.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 330.2074 Da |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
| SMILES | CCCCCCCCCCCC(=O)OCN1C=C[N+](=C1)C.[Cl-] |
| InChIKey | JNKRDWASBNZYHD-UHFFFAOYSA-M |
Chemical Property Profile of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
Property Insights of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride. With a topological polar surface area (TPSA) of 35.1 Ų, 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride has 0 hydrogen bond donor(s) and 3 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-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride?
The CAS number of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride is 61413-61-4.
What is the molecular formula of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride?
The molecular formula of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride is C17H31ClN2O2.
What is the molecular weight of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride?
The molecular weight of 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride is 330.2074 g/mol.
Where can I buy 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride?
You can request a quote for 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride?
Yes, CoreyChem provides custom synthesis services for 1-((Dodecanoyloxy)methyl)-3-methyl-1H-imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.