3-Phenylpropargylamine
TL;DR: 3-Phenylpropargylamine (CAS 78168-74-8) is a chemical compound with molecular formula C9H9N and molecular weight 131.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-yn-1-amine
Also Known As: 3-phenylprop-2-yn-1-amine, 3-Phenyl-2-propyn-1-amine, 3-Phenylpropargylamine, 3-Phenyl-propargylamine, PPAH
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9N |
| Molecular Weight | 131.0735 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 Da |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
| SMILES | C1=CC=C(C=C1)C#CCN |
| InChIKey | DEHHYUARFKIUDI-UHFFFAOYSA-N |
Product Description
Applications: 3-Phenylpropargylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 3-Phenylpropargylamine (CAS 78168-74-8) has the molecular formula C9H9N and a molecular weight of 131.07 g/mol. Synonyms include 3-phenylprop-2-yn-1-amine and 3-Phenyl-2-propyn-1-amine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Phenylpropargylamine
Property Insights of 3-Phenylpropargylamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropargylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Phenylpropargylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropargylamine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenylpropargylamine?
The CAS number of 3-Phenylpropargylamine is 78168-74-8.
What is the molecular formula of 3-Phenylpropargylamine?
The molecular formula of 3-Phenylpropargylamine is C9H9N.
What is the molecular weight of 3-Phenylpropargylamine?
The molecular weight of 3-Phenylpropargylamine is 131.0735 g/mol.
What are the applications of 3-Phenylpropargylamine?
3-Phenylpropargylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Phenylpropargylamine?
You can request a quote for 3-Phenylpropargylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylpropargylamine?
Yes, CoreyChem provides custom synthesis services for 3-Phenylpropargylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.