N,N-Diethyl-2,4-dinitroaniline
TL;DR: N,N-Diethyl-2,4-dinitroaniline (CAS 837-64-9) 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,N-diethyl-2,4-dinitroaniline
Also Known As: N,N-diethyl-2,4-dinitroaniline, 2,4-DINITRO-N,N-DIETHYLANILINE, Benzenamine, N,N-diethyl-2,4-dinitro-, (2,4-dinitrophenyl)diethylamine, Aniline, N,N-diethyl-2,4-dinitro-
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 837-64-9 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RAYYZJTYTUPECK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-2,4-dinitroaniline (CAS 837-64-9), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: N,N-diethyl-2,4-dinitroaniline.
Chemical Property Profile of N,N-Diethyl-2,4-dinitroaniline
Property Insights of N,N-Diethyl-2,4-dinitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-2,4-dinitroaniline. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, N,N-Diethyl-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-Diethyl-2,4-dinitroaniline?
The CAS number of N,N-Diethyl-2,4-dinitroaniline is 837-64-9.
What is the molecular formula of N,N-Diethyl-2,4-dinitroaniline?
The molecular formula of N,N-Diethyl-2,4-dinitroaniline is C10H13N3O4.
What is the molecular weight of N,N-Diethyl-2,4-dinitroaniline?
The molecular weight of N,N-Diethyl-2,4-dinitroaniline is 239.09 g/mol.
Where can I buy N,N-Diethyl-2,4-dinitroaniline?
You can request a quote for N,N-Diethyl-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-Diethyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.