4,4'-Ethylenedi-3-toluidine
TL;DR: 4,4'-Ethylenedi-3-toluidine (CAS 54628-21-6) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
Also Known As: 4,4'-Diamino-2,2'-dimethylbibenzyl, 4,4'-Ethylenedi-3-toluidine, 4,4'-(Ethane-1,2-diyl)bis(3-methylaniline), 4,4'-Ethylenedi-m-toluidine, 4,4-ethylenedi-m-toluidine
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H20N2 |
| Molecular Weight | 240.16264 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.16264 Da |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
| SMILES | CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C |
| InChIKey | ISESBQNCWCFFFR-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-Ethylenedi-3-toluidine
Property Insights of 4,4'-Ethylenedi-3-toluidine
The XLogP value of 3.5 indicates that 4,4'-Ethylenedi-3-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4,4'-Ethylenedi-3-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Ethylenedi-3-toluidine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4'-Ethylenedi-3-toluidine?
The CAS number of 4,4'-Ethylenedi-3-toluidine is 54628-21-6.
What is the molecular formula of 4,4'-Ethylenedi-3-toluidine?
The molecular formula of 4,4'-Ethylenedi-3-toluidine is C16H20N2.
What is the molecular weight of 4,4'-Ethylenedi-3-toluidine?
The molecular weight of 4,4'-Ethylenedi-3-toluidine is 240.16264 g/mol.
Where can I buy 4,4'-Ethylenedi-3-toluidine?
You can request a quote for 4,4'-Ethylenedi-3-toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Ethylenedi-3-toluidine?
Yes, CoreyChem provides custom synthesis services for 4,4'-Ethylenedi-3-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.