1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride
TL;DR: 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride (CAS 117983-00-3) is a chemical compound with molecular formula C10H15ClN2O and molecular weight 214.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(but-3-ynoxymethyl)-2,3-dimethylimidazol-3-ium chloride
Also Known As: 1-((3-Butynyloxy)methyl)-2,3-dimethyl-1H-imidazolium chloride, 1,2-Dimethyl-3-((3'-butyn-1'-yloxy)methyl)imidazolium chloride, 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride, 1-(but-3-ynoxymethyl)-2,3-dimethylimidazol-3-ium chloride, 1-{[(But-3-yn-1-yl)oxy]methyl}-2,3-dimethyl-1H-imidazol-3-ium chloride
| Molecular Formula | C10H15ClN2O |
|---|---|
| Molecular Weight | 214.09 g/mol |
| LogP | -2.37758 |
| Topological Polar Surface Area | 18.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.0873 |
| Heavy Atoms | 14 |
| Complexity | 314.41217 |
Chemical Identifiers
| CAS Number | 117983-00-3 |
|---|---|
| SMILES | CC1=[N+](C=CN1COCCC#C)C.[Cl-] |
Product Overview
1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride (CAS 117983-00-3), with molecular formula C10H15ClN2O and molecular weight 214.09 g/mol. IUPAC: 1-(but-3-ynoxymethyl)-2,3-dimethylimidazol-3-ium chloride.
Chemical Property Profile of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride
Property Insights of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride
The XLogP value of -2.37758 indicates that 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.04 Ų, 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride 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 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride?
The CAS number of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride is 117983-00-3.
What is the molecular formula of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride?
The molecular formula of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride is C10H15ClN2O.
What is the molecular weight of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride?
The molecular weight of 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride is 214.09 g/mol.
Where can I buy 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride?
You can request a quote for 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.