![N-[2-(2,4,6-trinitrophenyl)ethyl]aniline structure](/static/products/570/57043-65-9.png)
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
TL;DR: N-[2-(2,4,6-trinitrophenyl)ethyl]aniline (CAS 57043-65-9) is a chemical compound with molecular formula C14H12N4O6 and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
Also Known As: N-[2-(2,4,6-trinitrophenyl)ethyl]aniline, N-(2,4,6-trinitrophenethyl)aniline, Phenyl-[2-(2,4,6-trinitro-phenyl)-ethyl]-amine
| Molecular Formula | C14H12N4O6 |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.0658 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.07568 |
| Heavy Atoms | 24 |
| Complexity | 758.10175 |
Chemical Identifiers
| CAS Number | 57043-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline (CAS 57043-65-9), with molecular formula C14H12N4O6 and molecular weight 332.08 g/mol. IUPAC: N-[2-(2,4,6-trinitrophenyl)ethyl]aniline.
Chemical Property Profile of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
Property Insights of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
The XLogP value of 3.0658 indicates that N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting N-[2-(2,4,6-trinitrophenyl)ethyl]aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[2-(2,4,6-trinitrophenyl)ethyl]aniline has 1 hydrogen bond donor(s) and 7 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-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The CAS number of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is 57043-65-9.
What is the molecular formula of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The molecular formula of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is C14H12N4O6.
What is the molecular weight of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The molecular weight of N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is 332.08 g/mol.
Where can I buy N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
You can request a quote for N-[2-(2,4,6-trinitrophenyl)ethyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2,4,6-trinitrophenyl)ethyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.