6-Methyl-2,3-dinitroaniline
TL;DR: 6-Methyl-2,3-dinitroaniline (CAS 3484-29-5) is a chemical compound with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2,3-dinitroaniline
Also Known As: aminodinitrotoluene, 6-methyl-2,3-dinitroaniline, 2-aminodinitrotoluene, 2,3-dinitro-6-methylaniline, 6-methyl-2,3-dinitro-aniline
| Molecular Formula | C7H7N3O4 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 1.39362 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.04366 |
| Heavy Atoms | 14 |
| Complexity | 415.64108 |
Chemical Identifiers
| CAS Number | 3484-29-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N |
Product Overview
6-Methyl-2,3-dinitroaniline (CAS 3484-29-5), with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol. IUPAC: 6-methyl-2,3-dinitroaniline.
Chemical Property Profile of 6-Methyl-2,3-dinitroaniline
Property Insights of 6-Methyl-2,3-dinitroaniline
The XLogP value of 1.39362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2,3-dinitroaniline. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2,3-dinitroaniline. Following Lipinski's Rule of Five, 6-Methyl-2,3-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 6-Methyl-2,3-dinitroaniline?
The CAS number of 6-Methyl-2,3-dinitroaniline is 3484-29-5.
What is the molecular formula of 6-Methyl-2,3-dinitroaniline?
The molecular formula of 6-Methyl-2,3-dinitroaniline is C7H7N3O4.
What is the molecular weight of 6-Methyl-2,3-dinitroaniline?
The molecular weight of 6-Methyl-2,3-dinitroaniline is 197.04 g/mol.
Where can I buy 6-Methyl-2,3-dinitroaniline?
You can request a quote for 6-Methyl-2,3-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2,3-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2,3-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.