4-tert-Butyl-N-methyl-2,6-dinitroaniline
TL;DR: 4-tert-Butyl-N-methyl-2,6-dinitroaniline (CAS 33629-43-5) is a chemical compound with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-methyl-2,6-dinitroaniline
Also Known As: 4-tert-Butyl-N-methyl-2,6-dinitroaniline, 4- -N-methyl-2,6-dinitrobenzenamine, Aniline, 4-tert-butyl-N-methyl-2,6-dinitro-, N-methyl-2,6-dinitro-4-t-butylaniline, 4-(tert-butyl)-N-methyl-2,6-dinitroaniline
| Molecular Formula | C11H15N3O4 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.10626 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 33629-43-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])NC)[N+](=O)[O-] |
| InChIKey | SDESEGYLPHQNFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-N-methyl-2,6-dinitroaniline (CAS 33629-43-5), with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol. IUPAC: 4-tert-butyl-N-methyl-2,6-dinitroaniline.
Chemical Property Profile of 4-tert-Butyl-N-methyl-2,6-dinitroaniline
Property Insights of 4-tert-Butyl-N-methyl-2,6-dinitroaniline
The XLogP value of 3.8 indicates that 4-tert-Butyl-N-methyl-2,6-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl-N-methyl-2,6-dinitroaniline. Following Lipinski's Rule of Five, 4-tert-Butyl-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 4-tert-Butyl-N-methyl-2,6-dinitroaniline?
The CAS number of 4-tert-Butyl-N-methyl-2,6-dinitroaniline is 33629-43-5.
What is the molecular formula of 4-tert-Butyl-N-methyl-2,6-dinitroaniline?
The molecular formula of 4-tert-Butyl-N-methyl-2,6-dinitroaniline is C11H15N3O4.
What is the molecular weight of 4-tert-Butyl-N-methyl-2,6-dinitroaniline?
The molecular weight of 4-tert-Butyl-N-methyl-2,6-dinitroaniline is 253.11 g/mol.
Where can I buy 4-tert-Butyl-N-methyl-2,6-dinitroaniline?
You can request a quote for 4-tert-Butyl-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 4-tert-Butyl-N-methyl-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-N-methyl-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.