3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline
TL;DR: 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline (CAS 94042-96-3) is a chemical compound with molecular formula C18H31N and molecular weight 261.24564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butyl-N,N-diethylaniline
Also Known As: 3,5-ditert-butyl-N,N-diethylaniline, 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline, 3,5-di-tert-butyl-n,n-diethylaniline, 3,5-bis -N,N-diethylaniline, 1-diethylamino-3,5-di-t-butyl benzene
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H31N |
| Molecular Weight | 261.24564 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.24564 Da |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
| SMILES | CCN(CC)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| InChIKey | HERJOAJMXZQYDO-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline
Property Insights of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline
The XLogP value of 6.1 indicates that 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline?
The CAS number of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline is 94042-96-3.
What is the molecular formula of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline?
The molecular formula of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline is C18H31N.
What is the molecular weight of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline?
The molecular weight of 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline is 261.24564 g/mol.
Where can I buy 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline?
You can request a quote for 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.