2,4-Dimethyl-3,6-dinitroaniline
TL;DR: 2,4-Dimethyl-3,6-dinitroaniline (CAS 61920-54-5) is a chemical compound with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-3,6-dinitroaniline
Also Known As: 2,4-dimethyl-3,6-dinitroaniline, 2,4-dimethyl-3,6-dinitro-aniline, Benzenamine, 2,4-dimethyl-3,6-dinitro-, 1,3-dimethyl-2,5-dinitro-4-aminobenzene, 665-016-8
| Molecular Formula | C8H9N3O4 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 1.70204 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.05931 |
| Heavy Atoms | 15 |
| Complexity | 455.69028 |
Chemical Identifiers
| CAS Number | 61920-54-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1[N+](=O)[O-])C)N)[N+](=O)[O-] |
Product Overview
2,4-Dimethyl-3,6-dinitroaniline (CAS 61920-54-5), with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol. IUPAC: 2,4-dimethyl-3,6-dinitroaniline.
Chemical Property Profile of 2,4-Dimethyl-3,6-dinitroaniline
Property Insights of 2,4-Dimethyl-3,6-dinitroaniline
The XLogP value of 1.70204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-3,6-dinitroaniline. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-3,6-dinitroaniline. Following Lipinski's Rule of Five, 2,4-Dimethyl-3,6-dinitroaniline has 1 hydrogen bond donor(s) and 5 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 2,4-Dimethyl-3,6-dinitroaniline?
The CAS number of 2,4-Dimethyl-3,6-dinitroaniline is 61920-54-5.
What is the molecular formula of 2,4-Dimethyl-3,6-dinitroaniline?
The molecular formula of 2,4-Dimethyl-3,6-dinitroaniline is C8H9N3O4.
What is the molecular weight of 2,4-Dimethyl-3,6-dinitroaniline?
The molecular weight of 2,4-Dimethyl-3,6-dinitroaniline is 211.06 g/mol.
Where can I buy 2,4-Dimethyl-3,6-dinitroaniline?
You can request a quote for 2,4-Dimethyl-3,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-3,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-3,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.