2,3-Dimethyl-4-nitroaniline
TL;DR: 2,3-Dimethyl-4-nitroaniline (CAS 80879-86-3) 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.
2,3-dimethyl-4-nitroaniline
Also Known As: 2,3-dimethyl-4-nitroaniline, Benzenamine, 2,3-dimethyl-4-nitro-, 4-Nitro-2,3-xylidine, 2,3-dimethyl4-nitroaniline, 2,3-DIMETHYL-4-NITRO-PHENYLAMINE
| 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 | 80879-86-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)[N+](=O)[O-])N |
Product Overview
2,3-Dimethyl-4-nitroaniline (CAS 80879-86-3), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 2,3-dimethyl-4-nitroaniline.
Chemical Property Profile of 2,3-Dimethyl-4-nitroaniline
Property Insights of 2,3-Dimethyl-4-nitroaniline
The XLogP value of 1.79384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-4-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethyl-4-nitroaniline. Following Lipinski's Rule of Five, 2,3-Dimethyl-4-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 2,3-Dimethyl-4-nitroaniline?
The CAS number of 2,3-Dimethyl-4-nitroaniline is 80879-86-3.
What is the molecular formula of 2,3-Dimethyl-4-nitroaniline?
The molecular formula of 2,3-Dimethyl-4-nitroaniline is C8H10N2O2.
What is the molecular weight of 2,3-Dimethyl-4-nitroaniline?
The molecular weight of 2,3-Dimethyl-4-nitroaniline is 166.07 g/mol.
Where can I buy 2,3-Dimethyl-4-nitroaniline?
You can request a quote for 2,3-Dimethyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.