N-methyl-2,4,6-trinitroaniline
TL;DR: N-methyl-2,4,6-trinitroaniline (CAS 1022-07-7) is a chemical compound with molecular formula C7H6N4O6 and molecular weight 242.02873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-2,4,6-trinitroaniline
Also Known As: N-Methyl-2,4,6-trinitroaniline, N-Methylpicramide, Aniline,4,6-trinitro-, Benzenamine, N-methyl-2,4,6-trinitro-, Benzenamine,4,6-trinitro-
Technical Specifications
| Molecular Formula | C7H6N4O6 |
| Molecular Weight | 242.02873 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.02873 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CFYAUGJHWXGWHI-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-2,4,6-trinitroaniline
Property Insights of N-methyl-2,4,6-trinitroaniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2,4,6-trinitroaniline. The TPSA of 149.0 Ų indicates high polarity, suggesting N-methyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-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
What is the CAS number of N-methyl-2,4,6-trinitroaniline?
The CAS number of N-methyl-2,4,6-trinitroaniline is 1022-07-7.
What is the molecular formula of N-methyl-2,4,6-trinitroaniline?
The molecular formula of N-methyl-2,4,6-trinitroaniline is C7H6N4O6.
What is the molecular weight of N-methyl-2,4,6-trinitroaniline?
The molecular weight of N-methyl-2,4,6-trinitroaniline is 242.02873 g/mol.
Where can I buy N-methyl-2,4,6-trinitroaniline?
You can request a quote for N-methyl-2,4,6-trinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-2,4,6-trinitroaniline?
Yes, CoreyChem provides custom synthesis services for N-methyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.