Glutaronitrile
TL;DR: Glutaronitrile (CAS 544-13-8) is a chemical compound with molecular formula C5H6N2 and molecular weight 94.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentanedinitrile
Also Known As: Glutaronitrile, PENTANEDINITRILE, 1,3-Dicyanopropane, Glutarodinitrile, Glutaric acid dinitrile
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6N2 |
| Molecular Weight | 94.0531 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 94.0531 Da |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
| SMILES | C(CC#N)CC#N |
| InChIKey | ZTOMUSMDRMJOTH-UHFFFAOYSA-N |
Product Description
Applications: Glutaronitrile is used in complex organic molecule assembly across discovery and process chemistry, 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).
Glutaronitrile is a organic building block identified by CAS number 544-13-8 and the molecular formula C5H6N2 and a molecular weight of 94.05 g/mol. Synonyms include Glutaronitrile and PENTANEDINITRILE.
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 Glutaronitrile
Property Insights of Glutaronitrile
The XLogP value of -0.7 indicates that Glutaronitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, Glutaronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glutaronitrile has 0 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 Glutaronitrile?
The CAS number of Glutaronitrile is 544-13-8.
What is the molecular formula of Glutaronitrile?
The molecular formula of Glutaronitrile is C5H6N2.
What is the molecular weight of Glutaronitrile?
The molecular weight of Glutaronitrile is 94.0531 g/mol.
What are the applications of Glutaronitrile?
Glutaronitrile is used in complex organic molecule assembly across discovery and process chemistry, 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...
Where can I buy Glutaronitrile?
You can request a quote for Glutaronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Glutaronitrile?
Yes, CoreyChem provides custom synthesis services for Glutaronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.