N,N-dimethyl-2,4,6-trinitroaniline
TL;DR: N,N-dimethyl-2,4,6-trinitroaniline (CAS 2493-31-4) is a chemical compound with molecular formula C8H8N4O6 and molecular weight 256.04437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2,4,6-trinitroaniline
Also Known As: N,N-Dimethyl-2,4,6-trinitroaniline, N,N-dimethyl-2,4,6-trinitro-aniline, N,N-Dimethyl-2,4,6-trinitrobenzenamine, aniline, N,N-dimethyl-2,4,6-trinitro-, Benzenamine,N,N-dimethyl-2,4,6-trinitro-
Technical Specifications
| Molecular Formula | C8H8N4O6 |
| Molecular Weight | 256.04437 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04437 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | CN(C)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CHAGGWKJBGUBBJ-UHFFFAOYSA-N |
Chemical Property Profile of N,N-dimethyl-2,4,6-trinitroaniline
Property Insights of N,N-dimethyl-2,4,6-trinitroaniline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-2,4,6-trinitroaniline. The TPSA of 141.0 Ų indicates high polarity, suggesting N,N-dimethyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-dimethyl-2,4,6-trinitroaniline has 0 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,N-dimethyl-2,4,6-trinitroaniline?
The CAS number of N,N-dimethyl-2,4,6-trinitroaniline is 2493-31-4.
What is the molecular formula of N,N-dimethyl-2,4,6-trinitroaniline?
The molecular formula of N,N-dimethyl-2,4,6-trinitroaniline is C8H8N4O6.
What is the molecular weight of N,N-dimethyl-2,4,6-trinitroaniline?
The molecular weight of N,N-dimethyl-2,4,6-trinitroaniline is 256.04437 g/mol.
Where can I buy N,N-dimethyl-2,4,6-trinitroaniline?
You can request a quote for N,N-dimethyl-2,4,6-trinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-dimethyl-2,4,6-trinitroaniline?
Yes, CoreyChem provides custom synthesis services for N,N-dimethyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.