![Methyl[5-(methylamino)-2,4-dinitrophenyl]amine structure](/static/products/1265/12653-76-8.webp)
Methyl[5-(methylamino)-2,4-dinitrophenyl]amine
TL;DR: Methyl[5-(methylamino)-2,4-dinitrophenyl]amine (CAS 12653-76-8) is a chemical compound with molecular formula C8H10N4O4 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-dimethyl-4,6-dinitrobenzene-1,3-diamine
Also Known As: n,n'-dimethyl-4,6-dinitrobenzene-1,3-diamine, N,N'-Dimethyl-4,6-dinitro-1,3-benzenediamine, methyl[5-(methylamino)-2,4-dinitrophenyl]amine, N,N -Dimethyl-4,6-dinitro-1,3-benzenediamine, 1-N,3-N-dimethyl-4,6-dinitrobenzene-1,3-diamine
| Molecular Formula | C8H10N4O4 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0702 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 12653-76-8 |
|---|---|
| SMILES | CNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC |
| InChIKey | QLZNUFFXTZBJBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl[5-(methylamino)-2,4-dinitrophenyl]amine (CAS 12653-76-8), with molecular formula C8H10N4O4 and molecular weight 226.07 g/mol. IUPAC: 1-N,3-N-dimethyl-4,6-dinitrobenzene-1,3-diamine.
Chemical Property Profile of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine
Property Insights of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl[5-(methylamino)-2,4-dinitrophenyl]amine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl[5-(methylamino)-2,4-dinitrophenyl]amine. Following Lipinski's Rule of Five, Methyl[5-(methylamino)-2,4-dinitrophenyl]amine has 2 hydrogen bond donor(s) and 6 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 Methyl[5-(methylamino)-2,4-dinitrophenyl]amine?
The CAS number of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine is 12653-76-8.
What is the molecular formula of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine?
The molecular formula of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine is C8H10N4O4.
What is the molecular weight of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine?
The molecular weight of Methyl[5-(methylamino)-2,4-dinitrophenyl]amine is 226.07 g/mol.
Where can I buy Methyl[5-(methylamino)-2,4-dinitrophenyl]amine?
You can request a quote for Methyl[5-(methylamino)-2,4-dinitrophenyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl[5-(methylamino)-2,4-dinitrophenyl]amine?
Yes, KEHONG BIO provides custom synthesis services for Methyl[5-(methylamino)-2,4-dinitrophenyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.