N-(2-methylpropyl)-2,4-dinitroaniline
TL;DR: N-(2-methylpropyl)-2,4-dinitroaniline (CAS 13059-88-6) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methylpropyl)-2,4-dinitroaniline
Also Known As: N-(2-methylpropyl)-2,4-dinitroaniline, N-isobutyl-2,4-dinitroaniline, N-Isobutyl-2,4-dinitrobenzenamine, 2.4-Dinitro-N-sek.-butyl-anilin, Benzenamine, N-(2-methylpropyl)-2,4-dinitro-
Technical Specifications
| Molecular Formula | C10H13N3O4 |
| Molecular Weight | 239.0906 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0906 Da |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
| SMILES | CC(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HYHCZHIKPLOGQR-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-methylpropyl)-2,4-dinitroaniline
Property Insights of N-(2-methylpropyl)-2,4-dinitroaniline
The XLogP value of 3.5 indicates that N-(2-methylpropyl)-2,4-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 N-(2-methylpropyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(2-methylpropyl)-2,4-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
What is the CAS number of N-(2-methylpropyl)-2,4-dinitroaniline?
The CAS number of N-(2-methylpropyl)-2,4-dinitroaniline is 13059-88-6.
What is the molecular formula of N-(2-methylpropyl)-2,4-dinitroaniline?
The molecular formula of N-(2-methylpropyl)-2,4-dinitroaniline is C10H13N3O4.
What is the molecular weight of N-(2-methylpropyl)-2,4-dinitroaniline?
The molecular weight of N-(2-methylpropyl)-2,4-dinitroaniline is 239.0906 g/mol.
Where can I buy N-(2-methylpropyl)-2,4-dinitroaniline?
You can request a quote for N-(2-methylpropyl)-2,4-dinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-methylpropyl)-2,4-dinitroaniline?
Yes, CoreyChem provides custom synthesis services for N-(2-methylpropyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.