Ethynyltyramine
TL;DR: Ethynyltyramine (CAS 113036-61-6) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-aminobut-3-yn-2-yl)phenol
Also Known As: Ethynyltyramine, beta-ethynyltyramine, 4-(1-aminobut-3-yn-2-yl)phenol, 4-(1-(Aminomethyl)-2-propynyl)phenol, 4-(1-Aminomethyl-prop-2-ynyl)-phenol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.08406 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | C#CC(CN)C1=CC=C(C=C1)O |
| InChIKey | RSTGIJNRFQUESV-UHFFFAOYSA-N |
Chemical Property Profile of Ethynyltyramine
Property Insights of Ethynyltyramine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynyltyramine. With a topological polar surface area (TPSA) of 46.3 Ų, Ethynyltyramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynyltyramine 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 Ethynyltyramine?
The CAS number of Ethynyltyramine is 113036-61-6.
What is the molecular formula of Ethynyltyramine?
The molecular formula of Ethynyltyramine is C10H11NO.
What is the molecular weight of Ethynyltyramine?
The molecular weight of Ethynyltyramine is 161.08406 g/mol.
Where can I buy Ethynyltyramine?
You can request a quote for Ethynyltyramine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethynyltyramine?
Yes, CoreyChem provides custom synthesis services for Ethynyltyramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.