3,5-Dinitroaniline
TL;DR: 3,5-Dinitroaniline (CAS 618-87-1) is a chemical compound with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitroaniline
Also Known As: 3,5-DINITROANILINE, Aniline, 3,5-dinitro-, null, Dinitroanilines, Benzenamine, 3,5-dinitro-
| Molecular Formula | C6H5N3O4 |
|---|---|
| Molecular Weight | 183.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.028 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 618-87-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | MPBZUKLDHPOCLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitroaniline (CAS 618-87-1), with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol. IUPAC: 3,5-dinitroaniline.
Chemical Property Profile of 3,5-Dinitroaniline
Property Insights of 3,5-Dinitroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitroaniline. Following Lipinski's Rule of Five, 3,5-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 3,5-Dinitroaniline?
The CAS number of 3,5-Dinitroaniline is 618-87-1.
What is the molecular formula of 3,5-Dinitroaniline?
The molecular formula of 3,5-Dinitroaniline is C6H5N3O4.
What is the molecular weight of 3,5-Dinitroaniline?
The molecular weight of 3,5-Dinitroaniline is 183.03 g/mol.
Where can I buy 3,5-Dinitroaniline?
You can request a quote for 3,5-Dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.