Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide
TL;DR: Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide (CAS 94483-67-7) is a chemical compound with molecular formula C10H16INO3 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[(2,3,6-trihydroxyphenyl)methyl]azanium iodide
Also Known As: Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide, Trimethyl-[(2,3,6-trihydroxyphenyl)methyl]azanium Iodide
| Molecular Formula | C10H16INO3 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | -1.9864 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0175 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 94483-67-7 |
|---|---|
| SMILES | C[N+](C)(C)CC1=C(C=CC(=C1O)O)O.[I-] |
| InChIKey | UEHFSLDRUFKRGV-UHFFFAOYSA-N |
Product Overview
Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide (CAS 94483-67-7), with molecular formula C10H16INO3 and molecular weight 325.02 g/mol. IUPAC: trimethyl-[(2,3,6-trihydroxyphenyl)methyl]azanium iodide.
Chemical Property Profile of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide
Property Insights of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide
The XLogP value of -1.9864 indicates that Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide. Following Lipinski's Rule of Five, Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide has 3 hydrogen bond donor(s) and 4 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 Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide?
The CAS number of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide is 94483-67-7.
What is the molecular formula of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide?
The molecular formula of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide is C10H16INO3.
What is the molecular weight of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide?
The molecular weight of Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide is 325.02 g/mol.
Where can I buy Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide?
You can request a quote for Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, 2,3,6-trihydroxy-N,N,N-trimethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.