4,4'-Diaminodiphenyl Ether
TL;DR: 4,4'-Diaminodiphenyl Ether (CAS 101-80-4) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-aminophenoxy)aniline
Also Known As: 4,4'-Oxydianiline, 4,4-Oxydianiline, Oxydianiline, 4-Aminophenyl ether, 4,4'-Diaminodiphenyl ether
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.09496 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 Da |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
| Melting Point | 367 to 369 °F (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Flash Point | 426 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 464 °F ; 15 mmHg at 482 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 59 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)N |
| InChIKey | HLBLWEWZXPIGSM-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-Diaminodiphenyl Ether
Property Insights of 4,4'-Diaminodiphenyl Ether
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Diaminodiphenyl Ether. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Diaminodiphenyl Ether. Following Lipinski's Rule of Five, 4,4'-Diaminodiphenyl Ether has 2 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 4,4'-Diaminodiphenyl Ether?
The CAS number of 4,4'-Diaminodiphenyl Ether is 101-80-4.
What is the molecular formula of 4,4'-Diaminodiphenyl Ether?
The molecular formula of 4,4'-Diaminodiphenyl Ether is C12H12N2O.
What is the molecular weight of 4,4'-Diaminodiphenyl Ether?
The molecular weight of 4,4'-Diaminodiphenyl Ether is 200.09496 g/mol.
Where can I buy 4,4'-Diaminodiphenyl Ether?
You can request a quote for 4,4'-Diaminodiphenyl Ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Diaminodiphenyl Ether?
Yes, CoreyChem provides custom synthesis services for 4,4'-Diaminodiphenyl Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.