N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
TL;DR: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline (CAS 7461-16-7) is a chemical compound with molecular formula C12H16N4O6 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
Also Known As: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline, N-(2,2-dimethyl-butyl)-2,4,6-trinitro-aniline, N-(2,2-DIMETHYLBUTYL)-2,4,6-TRINITRO-ANILINE
| Molecular Formula | C12H16N4O6 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.107 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 7461-16-7 |
|---|---|
| SMILES | CCC(C)(C)CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FAALGAGROZLSNQ-UHFFFAOYSA-N |
Product Overview
N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline (CAS 7461-16-7), with molecular formula C12H16N4O6 and molecular weight 312.11 g/mol. IUPAC: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
Property Insights of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
The XLogP value of 4.0 indicates that N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,2-dimethylbutyl)-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-(2,2-dimethylbutyl)-2,4,6-trinitroaniline?
The CAS number of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline is 7461-16-7.
What is the molecular formula of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline?
The molecular formula of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline is C12H16N4O6.
What is the molecular weight of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline?
The molecular weight of N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline is 312.11 g/mol.
Where can I buy N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline?
You can request a quote for N-(2,2-dimethylbutyl)-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-(2,2-dimethylbutyl)-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.