N-(2,4,6-Trinitrobenzylidene)aniline
TL;DR: N-(2,4,6-Trinitrobenzylidene)aniline (CAS 29865-45-0) is a chemical compound with molecular formula C13H8N4O6 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-1-(2,4,6-trinitrophenyl)methanimine
Also Known As: N-(2,4,6-Trinitrobenzylidene)aniline, N-(2,4,6-trinitrobenzylidene)phenylamine, N-phenyl-1-(2,4,6-trinitrophenyl)methanimine, 4-[Phenyliminomethyl]-1,3,5-trinitrobenzene, (E)-N-Phenyl-1-(2,4,6-trinitrophenyl)methanimine
| Molecular Formula | C13H8N4O6 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 3.1618 |
| Topological Polar Surface Area | 141.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.04437 |
| Heavy Atoms | 23 |
| Complexity | 783.4645 |
Chemical Identifiers
| CAS Number | 29865-45-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,4,6-Trinitrobenzylidene)aniline (CAS 29865-45-0), with molecular formula C13H8N4O6 and molecular weight 316.04 g/mol. IUPAC: N-phenyl-1-(2,4,6-trinitrophenyl)methanimine.
Chemical Property Profile of N-(2,4,6-Trinitrobenzylidene)aniline
Property Insights of N-(2,4,6-Trinitrobenzylidene)aniline
The XLogP value of 3.1618 indicates that N-(2,4,6-Trinitrobenzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.78 Ų indicates high polarity, suggesting N-(2,4,6-Trinitrobenzylidene)aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4,6-Trinitrobenzylidene)aniline has 0 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-(2,4,6-Trinitrobenzylidene)aniline?
The CAS number of N-(2,4,6-Trinitrobenzylidene)aniline is 29865-45-0.
What is the molecular formula of N-(2,4,6-Trinitrobenzylidene)aniline?
The molecular formula of N-(2,4,6-Trinitrobenzylidene)aniline is C13H8N4O6.
What is the molecular weight of N-(2,4,6-Trinitrobenzylidene)aniline?
The molecular weight of N-(2,4,6-Trinitrobenzylidene)aniline is 316.04 g/mol.
Where can I buy N-(2,4,6-Trinitrobenzylidene)aniline?
You can request a quote for N-(2,4,6-Trinitrobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-Trinitrobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-Trinitrobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.