3,3'-Oxydianiline
TL;DR: 3,3'-Oxydianiline (CAS 18550-94-2) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminophenoxy)aniline
Also Known As: 3,3'-Oxydianiline, 3-(3-aminophenoxy)aniline, 3,3'-Oxybisbenzenamine, Benzenamine, 3,3'-oxybis-, 3,3'-Oxy-di-anilin
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 18550-94-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=CC(=C2)N)N |
| InChIKey | LXJLFVRAWOOQDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Oxydianiline (CAS 18550-94-2), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 3-(3-aminophenoxy)aniline.
Chemical Property Profile of 3,3'-Oxydianiline
Property Insights of 3,3'-Oxydianiline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Oxydianiline. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Oxydianiline. Following Lipinski's Rule of Five, 3,3'-Oxydianiline 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
Frequently Asked Questions
What is the CAS number of 3,3'-Oxydianiline?
The CAS number of 3,3'-Oxydianiline is 18550-94-2.
What is the molecular formula of 3,3'-Oxydianiline?
The molecular formula of 3,3'-Oxydianiline is C12H12N2O.
What is the molecular weight of 3,3'-Oxydianiline?
The molecular weight of 3,3'-Oxydianiline is 200.09 g/mol.
Where can I buy 3,3'-Oxydianiline?
You can request a quote for 3,3'-Oxydianiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Oxydianiline?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Oxydianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.