2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
TL;DR: 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine (CAS 5180-59-6) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-nitroaniline
Also Known As: 2,6-ditert-butyl-4-nitroaniline, 2,6-di-tert-butyl-4-nitroaniline, 2,6-BIS(1,1-DIMETHYLETHYL)-4-NITROBENZENAMINE, 2,6-bis(tert-butyl)-4-nitrophenylamine, Benzenamine, 2,6-bis(1,1-dimethylethyl)-4-nitro-
Technical Specifications
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.16812 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.16812 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1N)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | FHEAFSAWXGUQGP-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
Property Insights of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
The XLogP value of 4.4 indicates that 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine. Following Lipinski's Rule of Five, 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine?
The CAS number of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine is 5180-59-6.
What is the molecular formula of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine?
The molecular formula of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine is C14H22N2O2.
What is the molecular weight of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine?
The molecular weight of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine is 250.16812 g/mol.
Where can I buy 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine?
You can request a quote for 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine?
Yes, CoreyChem provides custom synthesis services for 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.