2,4,6-Trimethyl-3-nitroaniline
TL;DR: 2,4,6-Trimethyl-3-nitroaniline (CAS 1521-60-4) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethyl-3-nitroaniline
Also Known As: Nitromesidine, 3-Nitromesidine, aminonitromesitylene, 2,4,6-Trimethyl-3-nitroaniline, Aniline, 2,4,6-trimethyl-3-nitro-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CC1=CC(=C(C(=C1N)C)[N+](=O)[O-])C |
| InChIKey | CLNCRNJUFHMIAE-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Trimethyl-3-nitroaniline
Property Insights of 2,4,6-Trimethyl-3-nitroaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethyl-3-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trimethyl-3-nitroaniline. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-3-nitroaniline has 1 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 2,4,6-Trimethyl-3-nitroaniline?
The CAS number of 2,4,6-Trimethyl-3-nitroaniline is 1521-60-4.
What is the molecular formula of 2,4,6-Trimethyl-3-nitroaniline?
The molecular formula of 2,4,6-Trimethyl-3-nitroaniline is C9H12N2O2.
What is the molecular weight of 2,4,6-Trimethyl-3-nitroaniline?
The molecular weight of 2,4,6-Trimethyl-3-nitroaniline is 180.08987 g/mol.
Where can I buy 2,4,6-Trimethyl-3-nitroaniline?
You can request a quote for 2,4,6-Trimethyl-3-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trimethyl-3-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trimethyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.