Dimethylacetylene
TL;DR: Dimethylacetylene (CAS 503-17-3) is a chemical compound with molecular formula C4H6 and molecular weight 54.04695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-yne
Also Known As: 2-BUTYNE, But-2-yne, Crotonylene, Dimethylacetylene, Crotonylenetylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6 |
| Molecular Weight | 54.04695 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 54.04695 Da |
| Heavy Atoms | 4 |
| Complexity | 42.0 |
| Flash Point | -4 °F (NFPA, 2010) |
| Vapor Pressure | 706.0 [mmHg] |
| SMILES | CC#CC |
| InChIKey | XNMQEEKYCVKGBD-UHFFFAOYSA-N |
Product Description
Applications: Dimethylacetylene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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 heterocyclic building block supplied by CoreyChem, Dimethylacetylene (CAS 503-17-3) has the molecular formula C4H6 and a molecular weight of 54.05 g/mol. Synonyms include 2-BUTYNE and But-2-yne.
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 Dimethylacetylene
Property Insights of Dimethylacetylene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylacetylene. With a topological polar surface area (TPSA) of 0.0 Ų, Dimethylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylacetylene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethylacetylene?
The CAS number of Dimethylacetylene is 503-17-3.
What is the molecular formula of Dimethylacetylene?
The molecular formula of Dimethylacetylene is C4H6.
What is the molecular weight of Dimethylacetylene?
The molecular weight of Dimethylacetylene is 54.04695 g/mol.
What are the applications of Dimethylacetylene?
Dimethylacetylene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dimethylacetylene?
You can request a quote for Dimethylacetylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethylacetylene?
Yes, CoreyChem provides custom synthesis services for Dimethylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.