1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium
TL;DR: 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium (CAS 16321-96-3) is a chemical compound with molecular formula C9H16N3O2+ and molecular weight 198.12425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium
Also Known As: [1-carboxy-2-(1H-imidazol-4-yl)ethyl]trimethylazanium|N-[1-Carboxy-2-(1H-imidazole-5-yl)ethyl]trimethylaminium|1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium|1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethan-1-aminium|[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-trimethylazanium
Technical Specifications
| Molecular Formula | C9H16N3O2+ |
| Molecular Weight | 198.12425 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.12425 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | C[N+](C)(C)C(CC1=CN=CN1)C(=O)O |
| InChIKey | GPPYTCRVKHULJH-UHFFFAOYSA-O |
Chemical Property Profile of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium
Property Insights of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium. Following Lipinski's Rule of Five, 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium has 2 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-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium?
The CAS number of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium is 16321-96-3.
What is the molecular formula of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium?
The molecular formula of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium is C9H16N3O2+.
What is the molecular weight of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium?
The molecular weight of 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium is 198.12425 g/mol.
Where can I buy 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium?
You can request a quote for 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium?
Yes, CoreyChem provides custom synthesis services for 1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.