N,N-Dimethyl-2,4-dinitroaniline
TL;DR: N,N-Dimethyl-2,4-dinitroaniline (CAS 1670-17-3) is a chemical compound with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2,4-dinitroaniline
Also Known As: N,N-Dimethyl-2,4-dinitroaniline, N,4-dinitroaniline, 2,N-Dimethylaniline, 2,4-Dinitro-N,N-dimethylaniline, Metformin Impurity 28
| Molecular Formula | C8H9N3O4 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.05931 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 1670-17-3 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HJFZYZBHIAWDEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dimethyl-2,4-dinitroaniline (CAS 1670-17-3), with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol. IUPAC: N,N-dimethyl-2,4-dinitroaniline.
Chemical Property Profile of N,N-Dimethyl-2,4-dinitroaniline
Property Insights of N,N-Dimethyl-2,4-dinitroaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-2,4-dinitroaniline. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, N,N-Dimethyl-2,4-dinitroaniline has 0 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,N-Dimethyl-2,4-dinitroaniline?
The CAS number of N,N-Dimethyl-2,4-dinitroaniline is 1670-17-3.
What is the molecular formula of N,N-Dimethyl-2,4-dinitroaniline?
The molecular formula of N,N-Dimethyl-2,4-dinitroaniline is C8H9N3O4.
What is the molecular weight of N,N-Dimethyl-2,4-dinitroaniline?
The molecular weight of N,N-Dimethyl-2,4-dinitroaniline is 211.06 g/mol.
Where can I buy N,N-Dimethyl-2,4-dinitroaniline?
You can request a quote for N,N-Dimethyl-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,N-Dimethyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.