2,4-Dinitro-n-propylaniline
TL;DR: 2,4-Dinitro-n-propylaniline (CAS 13059-84-2) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-propylaniline
Also Known As: 2,4-Dinitro-n-propylaniline, N-Propyl-2,4-dinitroaniline, Aniline, 2,4-dinitro-N-propyl-, 2,4-Dinitro-n-propylaniline #, Benzenamine, 2,4-dinitro-N-propyl-
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 13059-84-2 |
|---|---|
| SMILES | CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VTYSAZUSTIWCND-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-n-propylaniline (CAS 13059-84-2), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: 2,4-dinitro-N-propylaniline.
Chemical Property Profile of 2,4-Dinitro-n-propylaniline
Property Insights of 2,4-Dinitro-n-propylaniline
The XLogP value of 3.1 indicates that 2,4-Dinitro-n-propylaniline 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 2,4-Dinitro-n-propylaniline. Following Lipinski's Rule of Five, 2,4-Dinitro-n-propylaniline 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 2,4-Dinitro-n-propylaniline?
The CAS number of 2,4-Dinitro-n-propylaniline is 13059-84-2.
What is the molecular formula of 2,4-Dinitro-n-propylaniline?
The molecular formula of 2,4-Dinitro-n-propylaniline is C9H11N3O4.
What is the molecular weight of 2,4-Dinitro-n-propylaniline?
The molecular weight of 2,4-Dinitro-n-propylaniline is 225.07 g/mol.
Where can I buy 2,4-Dinitro-n-propylaniline?
You can request a quote for 2,4-Dinitro-n-propylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-n-propylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-n-propylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.