N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline
TL;DR: N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline (CAS 40411-77-6) is a chemical compound with molecular formula C12H6N6O10 and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline
Also Known As: EINECS 254-909-4, N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline, N- -2,4,6-trinitroaniline, Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro-
| Molecular Formula | C12H6N6O10 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 2.9712 |
| Topological Polar Surface Area | 227.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.01453 |
| Heavy Atoms | 28 |
| Complexity | 983.93146 |
Chemical Identifiers
| CAS Number | 40411-77-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline (CAS 40411-77-6), with molecular formula C12H6N6O10 and molecular weight 394.01 g/mol. IUPAC: N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline
Property Insights of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline
The XLogP value of 2.9712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline. The TPSA of 227.73 Ų indicates high polarity, suggesting N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline?
The CAS number of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline is 40411-77-6.
What is the molecular formula of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline?
The molecular formula of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline is C12H6N6O10.
What is the molecular weight of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline?
The molecular weight of N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline is 394.01 g/mol.
Where can I buy N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline?
You can request a quote for N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dinitrophenyl)-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.