3-Methyl-5-nitroaniline
TL;DR: 3-Methyl-5-nitroaniline (CAS 618-61-1) 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-5-nitroaniline
Also Known As: 3-methyl-5-nitroaniline, 3-Methyl-5-nitro aniline, 5-Nitro-m-toluidine, 3-Methyl-5-notroaniline, 3-methyl-5-nitro-aniline
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.48542 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 276.2421 |
Chemical Identifiers
| CAS Number | 618-61-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)[N+](=O)[O-])N |
Product Overview
3-Methyl-5-nitroaniline (CAS 618-61-1), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 3-methyl-5-nitroaniline.
Chemical Property Profile of 3-Methyl-5-nitroaniline
Property Insights of 3-Methyl-5-nitroaniline
The XLogP value of 1.48542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-nitroaniline. Following Lipinski's Rule of Five, 3-Methyl-5-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-5-nitroaniline?
The CAS number of 3-Methyl-5-nitroaniline is 618-61-1.
What is the molecular formula of 3-Methyl-5-nitroaniline?
The molecular formula of 3-Methyl-5-nitroaniline is C7H8N2O2.
What is the molecular weight of 3-Methyl-5-nitroaniline?
The molecular weight of 3-Methyl-5-nitroaniline is 152.06 g/mol.
Where can I buy 3-Methyl-5-nitroaniline?
You can request a quote for 3-Methyl-5-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-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.