4,5-Dimethyl-2-nitrobenzenamine
TL;DR: 4,5-Dimethyl-2-nitrobenzenamine (CAS 6972-71-0) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-nitroaniline
Also Known As: 4,5-Dimethyl-2-nitroaniline, 6-Nitro-3,4-xylidine, 2-Nitro-4,5-dimethylaniline, 3,4-Xylidine, 6-nitro-, Benzenamine, 4,5-dimethyl-2-nitro-
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 6972-71-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])N |
| InChIKey | PINGKGKKUSYUAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethyl-2-nitrobenzenamine (CAS 6972-71-0), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 4,5-dimethyl-2-nitroaniline.
Chemical Property Profile of 4,5-Dimethyl-2-nitrobenzenamine
Property Insights of 4,5-Dimethyl-2-nitrobenzenamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-2-nitrobenzenamine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethyl-2-nitrobenzenamine. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-nitrobenzenamine 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
Frequently Asked Questions
What is the CAS number of 4,5-Dimethyl-2-nitrobenzenamine?
The CAS number of 4,5-Dimethyl-2-nitrobenzenamine is 6972-71-0.
What is the molecular formula of 4,5-Dimethyl-2-nitrobenzenamine?
The molecular formula of 4,5-Dimethyl-2-nitrobenzenamine is C8H10N2O2.
What is the molecular weight of 4,5-Dimethyl-2-nitrobenzenamine?
The molecular weight of 4,5-Dimethyl-2-nitrobenzenamine is 166.07 g/mol.
Where can I buy 4,5-Dimethyl-2-nitrobenzenamine?
You can request a quote for 4,5-Dimethyl-2-nitrobenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-nitrobenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-nitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.