3,6-Dimethyl-2-nitroaniline
TL;DR: 3,6-Dimethyl-2-nitroaniline (CAS 15540-85-9) 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.
3,6-dimethyl-2-nitroaniline
Also Known As: 3,6-dimethyl-2-nitroaniline, 3,6-Dimethyl-2-nitroanilin, 6-Nitro-2,5-xylidine, 2,5-dimethyl-6-nitroaniline, 4-methyl-amino-3-nitrotoluene
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.79384 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 334.0749 |
Chemical Identifiers
| CAS Number | 15540-85-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)[N+](=O)[O-])N |
Product Overview
3,6-Dimethyl-2-nitroaniline (CAS 15540-85-9), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 3,6-dimethyl-2-nitroaniline.
Chemical Property Profile of 3,6-Dimethyl-2-nitroaniline
Property Insights of 3,6-Dimethyl-2-nitroaniline
The XLogP value of 1.79384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-2-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dimethyl-2-nitroaniline. Following Lipinski's Rule of Five, 3,6-Dimethyl-2-nitroaniline 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 3,6-Dimethyl-2-nitroaniline?
The CAS number of 3,6-Dimethyl-2-nitroaniline is 15540-85-9.
What is the molecular formula of 3,6-Dimethyl-2-nitroaniline?
The molecular formula of 3,6-Dimethyl-2-nitroaniline is C8H10N2O2.
What is the molecular weight of 3,6-Dimethyl-2-nitroaniline?
The molecular weight of 3,6-Dimethyl-2-nitroaniline is 166.07 g/mol.
Where can I buy 3,6-Dimethyl-2-nitroaniline?
You can request a quote for 3,6-Dimethyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.