![4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline structure](/static/products/406/40668-57-3.png)
4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
TL;DR: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline (CAS 40668-57-3) is a chemical compound with molecular formula C15H14N4O6 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
Also Known As: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline, 4-methyl-N-(2,4,6-trinitrophenethyl)aniline, p-Tolyl-[2-(2,4,6-trinitro-phenyl)-ethyl]-amine
| Molecular Formula | C15H14N4O6 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 3.37422 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.09134 |
| Heavy Atoms | 25 |
| Complexity | 799.4104 |
Chemical Identifiers
| CAS Number | 40668-57-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline (CAS 40668-57-3), with molecular formula C15H14N4O6 and molecular weight 346.09 g/mol. IUPAC: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline.
Chemical Property Profile of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
Property Insights of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
The XLogP value of 3.37422 indicates that 4-methyl-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 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methyl-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 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The CAS number of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is 40668-57-3.
What is the molecular formula of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The molecular formula of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is C15H14N4O6.
What is the molecular weight of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
The molecular weight of 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline is 346.09 g/mol.
Where can I buy 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
You can request a quote for 4-methyl-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 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.