N-Butyl-2,4-dinitroaniline
TL;DR: N-Butyl-2,4-dinitroaniline (CAS 13084-76-9) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2,4-dinitroaniline
Also Known As: N-butyl-2,4-dinitroaniline, 2,4-dinitro-N-butylaniline, N-butyl-2,4-dinitro-aniline, (2,4-dinitrophenyl)butylamine, Butyl(2,4-dinitrophenyl)amine
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 13084-76-9 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XFLMVRNRVDULNK-UHFFFAOYSA-N |
Product Overview
N-Butyl-2,4-dinitroaniline (CAS 13084-76-9), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: N-butyl-2,4-dinitroaniline.
Chemical Property Profile of N-Butyl-2,4-dinitroaniline
Property Insights of N-Butyl-2,4-dinitroaniline
The XLogP value of 3.5 indicates that N-Butyl-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-Butyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-Butyl-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
Frequently Asked Questions
What is the CAS number of N-Butyl-2,4-dinitroaniline?
The CAS number of N-Butyl-2,4-dinitroaniline is 13084-76-9.
What is the molecular formula of N-Butyl-2,4-dinitroaniline?
The molecular formula of N-Butyl-2,4-dinitroaniline is C10H13N3O4.
What is the molecular weight of N-Butyl-2,4-dinitroaniline?
The molecular weight of N-Butyl-2,4-dinitroaniline is 239.09 g/mol.
Where can I buy N-Butyl-2,4-dinitroaniline?
You can request a quote for N-Butyl-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.