3-Methyl-2-nitroaniline
TL;DR: 3-Methyl-2-nitroaniline (CAS 601-87-6) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-nitroaniline
Also Known As: 3-Methyl-2-nitroaniline, 3-Amino-2-Nitrotoluene, aminonitrotoluene, Dimedonedioxime, Benzenamine, 3-methyl-2-nitro-
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 601-87-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N)[N+](=O)[O-] |
| InChIKey | VDCZKCIEXGXCDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-nitroaniline (CAS 601-87-6), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 3-methyl-2-nitroaniline.
Chemical Property Profile of 3-Methyl-2-nitroaniline
Property Insights of 3-Methyl-2-nitroaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-nitroaniline. Following Lipinski's Rule of Five, 3-Methyl-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-Methyl-2-nitroaniline?
The CAS number of 3-Methyl-2-nitroaniline is 601-87-6.
What is the molecular formula of 3-Methyl-2-nitroaniline?
The molecular formula of 3-Methyl-2-nitroaniline is C7H8N2O2.
What is the molecular weight of 3-Methyl-2-nitroaniline?
The molecular weight of 3-Methyl-2-nitroaniline is 152.06 g/mol.
Where can I buy 3-Methyl-2-nitroaniline?
You can request a quote for 3-Methyl-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-Methyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.