1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride
TL;DR: 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride (CAS 69812-97-1) is a chemical compound with molecular formula C7H12ClN3O and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,3-trimethylimidazol-3-ium-1-carboxamide chloride
Also Known As: 1-(N,N-Dimethylcarbamoyl)-3-methylimidazolium chloride, dimethylcarbamoyl-3-methylimidazolium chloride, 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride, 1-((Dimethylamino)carbonyl)-3-methyl-1H-imidazolium chloride, N,N,3-trimethylimidazol-3-ium-1-carboxamide chloride
| Molecular Formula | C7H12ClN3O |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -3.1537 |
| Topological Polar Surface Area | 29.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.0669 |
| Heavy Atoms | 12 |
| Complexity | 269.37015 |
Chemical Identifiers
| CAS Number | 69812-97-1 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C(=O)N(C)C.[Cl-] |
Product Overview
1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride (CAS 69812-97-1), with molecular formula C7H12ClN3O and molecular weight 189.07 g/mol. IUPAC: N,N,3-trimethylimidazol-3-ium-1-carboxamide chloride.
Chemical Property Profile of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride
Property Insights of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride
The XLogP value of -3.1537 indicates that 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.12 Ų, 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium 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 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride?
The CAS number of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride is 69812-97-1.
What is the molecular formula of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride?
The molecular formula of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride is C7H12ClN3O.
What is the molecular weight of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride?
The molecular weight of 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride is 189.07 g/mol.
Where can I buy 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride?
You can request a quote for 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.