N-(4-chlorobenzyl)-2,4-dinitroaniline
TL;DR: N-(4-chlorobenzyl)-2,4-dinitroaniline (CAS 10268-90-3) is a chemical compound with molecular formula C13H10ClN3O4 and molecular weight 307.03598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-chlorophenyl)methyl]-2,4-dinitroaniline
Also Known As: N-(4-chlorobenzyl)-2,4-dinitroaniline, N-[(4-chlorophenyl)methyl]-2,4-dinitroaniline, 10F-304S, (4-Chloro-benzyl)-(2,4-dinitro-phenyl)-amine, benzylamine, 4-chloro-N-(2,4-dinitrophenyl)-
Technical Specifications
| Molecular Formula | C13H10ClN3O4 |
| Molecular Weight | 307.03598 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.03598 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | DKZNCUMADHGTIW-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-chlorobenzyl)-2,4-dinitroaniline
Property Insights of N-(4-chlorobenzyl)-2,4-dinitroaniline
The XLogP value of 4.3 indicates that N-(4-chlorobenzyl)-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-(4-chlorobenzyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-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-(4-chlorobenzyl)-2,4-dinitroaniline?
The CAS number of N-(4-chlorobenzyl)-2,4-dinitroaniline is 10268-90-3.
What is the molecular formula of N-(4-chlorobenzyl)-2,4-dinitroaniline?
The molecular formula of N-(4-chlorobenzyl)-2,4-dinitroaniline is C13H10ClN3O4.
What is the molecular weight of N-(4-chlorobenzyl)-2,4-dinitroaniline?
The molecular weight of N-(4-chlorobenzyl)-2,4-dinitroaniline is 307.03598 g/mol.
Where can I buy N-(4-chlorobenzyl)-2,4-dinitroaniline?
You can request a quote for N-(4-chlorobenzyl)-2,4-dinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-chlorobenzyl)-2,4-dinitroaniline?
Yes, CoreyChem provides custom synthesis services for N-(4-chlorobenzyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.