3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
TL;DR: 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium (CAS 145832-35-5) is a chemical compound with molecular formula C13H20INO2 and molecular weight 349.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
Also Known As: 3-Amtmbm, 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide, 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium, [3-(acetyloxymethyl)phenyl]methyl-trimethylazanium;iodide, [3-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
Technical Specifications
| Molecular Formula | C13H20INO2 |
| Molecular Weight | 349.0539 g/mol |
| XLogP | -1.0401 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0539 Da |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
| SMILES | CC(=O)OCC1=CC=CC(=C1)C[N+](C)(C)C.[I-] |
| InChIKey | XAJSQZUDCSJIRS-UHFFFAOYSA-M |
Chemical Property Profile of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
Property Insights of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
The XLogP value of -1.0401 indicates that 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium 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 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The CAS number of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is 145832-35-5.
What is the molecular formula of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The molecular formula of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is C13H20INO2.
What is the molecular weight of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The molecular weight of 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is 349.0539 g/mol.
Where can I buy 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
You can request a quote for 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
Yes, CoreyChem provides custom synthesis services for 3-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.