N-Isopropyl-2,4-dinitroaniline
TL;DR: N-Isopropyl-2,4-dinitroaniline (CAS 13059-85-3) 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-propan-2-ylaniline
Also Known As: N-Isopropyl-2,4-dinitroaniline, (2,4-Dinitro-phenyl)-isopropyl-amine, 2,4-dinitro-N-(propan-2-yl)aniline, 2,4-dinitro-N-propan-2-ylaniline, aniline, N-isopropyl-2,4-dinitro-
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 13059-85-3 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KBLJXXODEPARJO-UHFFFAOYSA-N |
Product Overview
N-Isopropyl-2,4-dinitroaniline (CAS 13059-85-3), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: 2,4-dinitro-N-propan-2-ylaniline.
Chemical Property Profile of N-Isopropyl-2,4-dinitroaniline
Property Insights of N-Isopropyl-2,4-dinitroaniline
The XLogP value of 3.0 indicates that N-Isopropyl-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-Isopropyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-Isopropyl-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-Isopropyl-2,4-dinitroaniline?
The CAS number of N-Isopropyl-2,4-dinitroaniline is 13059-85-3.
What is the molecular formula of N-Isopropyl-2,4-dinitroaniline?
The molecular formula of N-Isopropyl-2,4-dinitroaniline is C9H11N3O4.
What is the molecular weight of N-Isopropyl-2,4-dinitroaniline?
The molecular weight of N-Isopropyl-2,4-dinitroaniline is 225.07 g/mol.
Where can I buy N-Isopropyl-2,4-dinitroaniline?
You can request a quote for N-Isopropyl-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-Isopropyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.