N-Decyl-2,4,6-trinitroaniline
TL;DR: N-Decyl-2,4,6-trinitroaniline (CAS 91472-53-6) is a chemical compound with molecular formula C16H24N4O6 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-decyl-2,4,6-trinitroaniline
Also Known As: N-decyl-2,4,6-trinitroaniline, N-Decyl-2,4,6-trinitrobenzeneamine, N-(2,4,6-trinitrophenyl)decan-1-amine, J2.472.306B, 635-622-7
| Molecular Formula | C16H24N4O6 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 4.9638 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 368.1696 |
| Heavy Atoms | 26 |
| Complexity | 614.6223 |
Chemical Identifiers
| CAS Number | 91472-53-6 |
|---|---|
| SMILES | CCCCCCCCCCNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-Decyl-2,4,6-trinitroaniline (CAS 91472-53-6), with molecular formula C16H24N4O6 and molecular weight 368.17 g/mol. IUPAC: N-decyl-2,4,6-trinitroaniline.
Chemical Property Profile of N-Decyl-2,4,6-trinitroaniline
Property Insights of N-Decyl-2,4,6-trinitroaniline
The XLogP value of 4.9638 indicates that N-Decyl-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting N-Decyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Decyl-2,4,6-trinitroaniline 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-Decyl-2,4,6-trinitroaniline?
The CAS number of N-Decyl-2,4,6-trinitroaniline is 91472-53-6.
What is the molecular formula of N-Decyl-2,4,6-trinitroaniline?
The molecular formula of N-Decyl-2,4,6-trinitroaniline is C16H24N4O6.
What is the molecular weight of N-Decyl-2,4,6-trinitroaniline?
The molecular weight of N-Decyl-2,4,6-trinitroaniline is 368.17 g/mol.
Where can I buy N-Decyl-2,4,6-trinitroaniline?
You can request a quote for N-Decyl-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-Decyl-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Decyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.