2,2'-Diaminotolane
TL;DR: 2,2'-Diaminotolane (CAS 131298-21-0) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-aminophenyl)ethynyl]aniline
Also Known As: 2,2'-diaminotolane, 2,2 -Ethynylenebisaniline, 1,2-Bis(2-aminophenyl)ethyne, 2-[2-(2-aminophenyl)ethynyl]aniline, 2-(2-Aminophenylethynyl)aniline
Technical Specifications
| Molecular Formula | C14H12N2 |
| Molecular Weight | 208.10005 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10005 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)N |
| InChIKey | OOQJQODANDEQOT-UHFFFAOYSA-N |
Chemical Property Profile of 2,2'-Diaminotolane
Property Insights of 2,2'-Diaminotolane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Diaminotolane. With a topological polar surface area (TPSA) of 52.0 Ų, 2,2'-Diaminotolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-Diaminotolane 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 2,2'-Diaminotolane?
The CAS number of 2,2'-Diaminotolane is 131298-21-0.
What is the molecular formula of 2,2'-Diaminotolane?
The molecular formula of 2,2'-Diaminotolane is C14H12N2.
What is the molecular weight of 2,2'-Diaminotolane?
The molecular weight of 2,2'-Diaminotolane is 208.10005 g/mol.
Where can I buy 2,2'-Diaminotolane?
You can request a quote for 2,2'-Diaminotolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2'-Diaminotolane?
Yes, CoreyChem provides custom synthesis services for 2,2'-Diaminotolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.