4-Methyl-N-(4-nitrophenyl)benzenamine
TL;DR: 4-Methyl-N-(4-nitrophenyl)benzenamine (CAS 620-89-3) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(4-nitrophenyl)aniline
Also Known As: 4-methyl-n-(4-nitrophenyl)aniline, 4-Methyl-N-(4-nitrophenyl)benzenamine, N-(4-methylphenyl)-4-nitroaniline, Benzenamine, 4-methyl-N-(4-nitrophenyl)-, 4-Methyl-4'-nitrodiphenylamine
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 620-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AMAHTMJTDVOIFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-N-(4-nitrophenyl)benzenamine (CAS 620-89-3), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 4-methyl-N-(4-nitrophenyl)aniline.
Chemical Property Profile of 4-Methyl-N-(4-nitrophenyl)benzenamine
Property Insights of 4-Methyl-N-(4-nitrophenyl)benzenamine
The XLogP value of 3.9 indicates that 4-Methyl-N-(4-nitrophenyl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 4-Methyl-N-(4-nitrophenyl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-N-(4-nitrophenyl)benzenamine 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 4-Methyl-N-(4-nitrophenyl)benzenamine?
The CAS number of 4-Methyl-N-(4-nitrophenyl)benzenamine is 620-89-3.
What is the molecular formula of 4-Methyl-N-(4-nitrophenyl)benzenamine?
The molecular formula of 4-Methyl-N-(4-nitrophenyl)benzenamine is C13H12N2O2.
What is the molecular weight of 4-Methyl-N-(4-nitrophenyl)benzenamine?
The molecular weight of 4-Methyl-N-(4-nitrophenyl)benzenamine is 228.09 g/mol.
Where can I buy 4-Methyl-N-(4-nitrophenyl)benzenamine?
You can request a quote for 4-Methyl-N-(4-nitrophenyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-(4-nitrophenyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-(4-nitrophenyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.