3-甲基-N-(4-硝基苯基)苯胺
TL;DR: 3-甲基-N-(4-硝基苯基)苯胺 (CAS 15979-82-5) 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.
3-甲基-N-(4-硝基苯基)苯胺
3-methyl-N-(4-nitrophenyl)aniline
Also Known As: 3-methyl-N-(4-nitrophenyl)aniline, 3-METHYL-N-(4-NITROPHENYL)BENZENAMINE, 3-Methyl-4'-nitrodiphenylamine, (4-Nitro-phenyl)-m-tolyl-amine, N-(3-METHYLPHENYL)-4-NITROANILINE
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 4.0 |
| 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 | 257.0 |
Chemical Identifiers
| CAS Number | 15979-82-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LMPVRWVQOMNVKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-N-(4-硝基苯基)苯胺 (CAS 15979-82-5), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 3-methyl-N-(4-nitrophenyl)aniline.
Chemical Property Profile of 3-甲基-N-(4-硝基苯基)苯胺
Property Insights of 3-甲基-N-(4-硝基苯基)苯胺
The XLogP value of 4.0 indicates that 3-甲基-N-(4-硝基苯基)苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-甲基-N-(4-硝基苯基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-N-(4-硝基苯基)苯胺 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-甲基-N-(4-硝基苯基)苯胺?
The CAS number of 3-甲基-N-(4-硝基苯基)苯胺 is 15979-82-5.
What is the molecular formula of 3-甲基-N-(4-硝基苯基)苯胺?
The molecular formula of 3-甲基-N-(4-硝基苯基)苯胺 is C13H12N2O2.
What is the molecular weight of 3-甲基-N-(4-硝基苯基)苯胺?
The molecular weight of 3-甲基-N-(4-硝基苯基)苯胺 is 228.09 g/mol.
Where can I buy 3-甲基-N-(4-硝基苯基)苯胺?
You can request a quote for 3-甲基-N-(4-硝基苯基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-N-(4-硝基苯基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-N-(4-硝基苯基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.