2,4-Dinitro-n-(1-phenylethyl)aniline
TL;DR: 2,4-Dinitro-n-(1-phenylethyl)aniline (CAS 31493-50-2) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-(1-phenylethyl)aniline
Also Known As: 2,4-dinitro-n-(1-phenylethyl)aniline, NCIOpen2_006106, (2,4-dinitrophenyl)(phenylethyl)amine, (2,4-dinitrophenyl)-(1-phenylethyl)amine, (2,4-DINITRO-PHENYL)-(1-PHENYL-ETHYL)-AMINE
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 31493-50-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WDPJOUSERAPPNV-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-n-(1-phenylethyl)aniline (CAS 31493-50-2), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: 2,4-dinitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 2,4-Dinitro-n-(1-phenylethyl)aniline
Property Insights of 2,4-Dinitro-n-(1-phenylethyl)aniline
The XLogP value of 4.1 indicates that 2,4-Dinitro-n-(1-phenylethyl)aniline 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 2,4-Dinitro-n-(1-phenylethyl)aniline. Following Lipinski's Rule of Five, 2,4-Dinitro-n-(1-phenylethyl)aniline 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 2,4-Dinitro-n-(1-phenylethyl)aniline?
The CAS number of 2,4-Dinitro-n-(1-phenylethyl)aniline is 31493-50-2.
What is the molecular formula of 2,4-Dinitro-n-(1-phenylethyl)aniline?
The molecular formula of 2,4-Dinitro-n-(1-phenylethyl)aniline is C14H13N3O4.
What is the molecular weight of 2,4-Dinitro-n-(1-phenylethyl)aniline?
The molecular weight of 2,4-Dinitro-n-(1-phenylethyl)aniline is 287.09 g/mol.
Where can I buy 2,4-Dinitro-n-(1-phenylethyl)aniline?
You can request a quote for 2,4-Dinitro-n-(1-phenylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-n-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-n-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.