Trimethylphenylammonium iodide
TL;DR: Trimethylphenylammonium iodide (CAS 98-04-4) is a chemical compound with molecular formula C9H14IN and molecular weight 263.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(phenyl)azanium iodide
Also Known As: Trimethylphenylammonium iodide, Phenyltrimethylammonium iodide, Trimethylanilinium iodide, Ammonium, iodide, Trimethylanillinium iodide
| Molecular Formula | C9H14IN |
|---|---|
| Molecular Weight | 263.02 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.0171 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
| Solubility | >39.5 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 98-04-4 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC=C1.[I-] |
| InChIKey | KKLAORVGAKUOPZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylphenylammonium iodide (CAS 98-04-4), with molecular formula C9H14IN and molecular weight 263.02 g/mol. IUPAC: trimethyl(phenyl)azanium iodide.
Chemical Property Profile of Trimethylphenylammonium iodide
Property Insights of Trimethylphenylammonium iodide
The XLogP value of -1.11 indicates that Trimethylphenylammonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Trimethylphenylammonium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylphenylammonium iodide 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 Trimethylphenylammonium iodide?
The CAS number of Trimethylphenylammonium iodide is 98-04-4.
What is the molecular formula of Trimethylphenylammonium iodide?
The molecular formula of Trimethylphenylammonium iodide is C9H14IN.
What is the molecular weight of Trimethylphenylammonium iodide?
The molecular weight of Trimethylphenylammonium iodide is 263.02 g/mol.
Where can I buy Trimethylphenylammonium iodide?
You can request a quote for Trimethylphenylammonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylphenylammonium iodide?
Yes, KEHONG BIO provides custom synthesis services for Trimethylphenylammonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.