N-Methyl-2,6-dinitroaniline
TL;DR: N-Methyl-2,6-dinitroaniline (CAS 5910-19-0) is a chemical compound with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2,6-dinitroaniline
Also Known As: N-Methyl-2,6-dinitroaniline, methyl-2,6-dinitroaniline, 2,6-Dinitro-N-methylaniline, N-Methyl-2,6-dinitrobenzenamine, Benzenamine, N-methyl-2,6-dinitro-
| Molecular Formula | C7H7N3O4 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.04366 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5910-19-0 |
|---|---|
| SMILES | CNC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YEYQXUWULBDKHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-2,6-dinitroaniline (CAS 5910-19-0), with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol. IUPAC: N-methyl-2,6-dinitroaniline.
Chemical Property Profile of N-Methyl-2,6-dinitroaniline
Property Insights of N-Methyl-2,6-dinitroaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2,6-dinitroaniline. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-2,6-dinitroaniline. Following Lipinski's Rule of Five, N-Methyl-2,6-dinitroaniline has 1 hydrogen bond donor(s) and 5 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 N-Methyl-2,6-dinitroaniline?
The CAS number of N-Methyl-2,6-dinitroaniline is 5910-19-0.
What is the molecular formula of N-Methyl-2,6-dinitroaniline?
The molecular formula of N-Methyl-2,6-dinitroaniline is C7H7N3O4.
What is the molecular weight of N-Methyl-2,6-dinitroaniline?
The molecular weight of N-Methyl-2,6-dinitroaniline is 197.04 g/mol.
Where can I buy N-Methyl-2,6-dinitroaniline?
You can request a quote for N-Methyl-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.