3-Methyl-2,4,6-trinitroaniline
TL;DR: 3-Methyl-2,4,6-trinitroaniline (CAS 22603-58-3) is a chemical compound with molecular formula C7H6N4O6 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4,6-trinitroaniline
Also Known As: 2,4,6-Trinitro-m-toluidine, 3-methyl-2,4,6-trinitroaniline, m-Toluidine, 2,4,6-trinitro-, Citric acid, nickel salt, 3-Methyl-2,4,6-trinitrobenzenamine
| Molecular Formula | C7H6N4O6 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.02873 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 22603-58-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | RSUBARQODWIKOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2,4,6-trinitroaniline (CAS 22603-58-3), with molecular formula C7H6N4O6 and molecular weight 242.03 g/mol. IUPAC: 3-methyl-2,4,6-trinitroaniline.
Chemical Property Profile of 3-Methyl-2,4,6-trinitroaniline
Property Insights of 3-Methyl-2,4,6-trinitroaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,4,6-trinitroaniline. The TPSA of 163.0 Ų indicates high polarity, suggesting 3-Methyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methyl-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 7 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 3-Methyl-2,4,6-trinitroaniline?
The CAS number of 3-Methyl-2,4,6-trinitroaniline is 22603-58-3.
What is the molecular formula of 3-Methyl-2,4,6-trinitroaniline?
The molecular formula of 3-Methyl-2,4,6-trinitroaniline is C7H6N4O6.
What is the molecular weight of 3-Methyl-2,4,6-trinitroaniline?
The molecular weight of 3-Methyl-2,4,6-trinitroaniline is 242.03 g/mol.
Where can I buy 3-Methyl-2,4,6-trinitroaniline?
You can request a quote for 3-Methyl-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.