Propyne
TL;DR: Propyne (CAS 74-99-7) is a chemical compound with molecular formula C3H4 and molecular weight 40.0313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-1-yne
Also Known As: Propyne, Methylacetylene, prop-1-yne, Allylene, Methyl acetylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4 |
| Molecular Weight | 40.0313 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 40.0313 Da |
| Heavy Atoms | 3 |
| Complexity | 26.0 |
| Melting Point | -153 °F (NIOSH, 2024) |
| Boiling Point | -10 °F at 760 mmHg (NIOSH, 2024) |
| Density | 0.607 at 25 °C/4 °C |
| Flash Point | Flammable gas |
| Vapor Pressure | 5.2 atm (NIOSH, 2024) |
| Refractive Index | Index of refraction = 1.3863 at -40 °C/D |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CC#C |
| InChIKey | MWWATHDPGQKSAR-UHFFFAOYSA-N |
Product Description
Applications: Propyne 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, Propyne (CAS 74-99-7) has the molecular formula C3H4 and a molecular weight of 40.03 g/mol. Reported properties include a density of 0.607 at 25 °C/4 °C g/cm³, a solubility: Insoluble (NIOSH, 2024). Synonyms include Propyne and Methylacetylene.
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 Propyne
Property Insights of Propyne
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyne. With a topological polar surface area (TPSA) of 0.0 Ų, Propyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyne 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 Propyne?
The CAS number of Propyne is 74-99-7.
What is the molecular formula of Propyne?
The molecular formula of Propyne is C3H4.
What is the molecular weight of Propyne?
The molecular weight of Propyne is 40.0313 g/mol.
What are the applications of Propyne?
Propyne 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...
Where can I buy Propyne?
You can request a quote for Propyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyne?
Yes, CoreyChem provides custom synthesis services for Propyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.