Arcaine
TL;DR: Arcaine (CAS 544-05-8) is a chemical compound with molecular formula C6H16N6 and molecular weight 172.14365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(diaminomethylideneamino)butyl]guanidine
Also Known As: arcaine, 1,4-Diguanidinobutane, Arcaine sulfate, Tetramethylenediguanide, Arcain
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H16N6 |
| Molecular Weight | 172.14365 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14365 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C(CCN=C(N)N)CN=C(N)N |
| InChIKey | HGMDNMBBCKDWTQ-UHFFFAOYSA-N |
Product Description
Applications: Arcaine 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).
Arcaine is a pharmaceutical intermediate identified by CAS number 544-05-8 and the molecular formula C6H16N6 and a molecular weight of 172.14 g/mol. Synonyms include arcaine and 1,4-Diguanidinobutane.
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 Arcaine
Property Insights of Arcaine
The XLogP value of -2.2 indicates that Arcaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arcaine. Following Lipinski's Rule of Five, Arcaine has 4 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 Arcaine?
The CAS number of Arcaine is 544-05-8.
What is the molecular formula of Arcaine?
The molecular formula of Arcaine is C6H16N6.
What is the molecular weight of Arcaine?
The molecular weight of Arcaine is 172.14365 g/mol.
What are the applications of Arcaine?
Arcaine 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...
Where can I buy Arcaine?
You can request a quote for Arcaine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Arcaine?
Yes, CoreyChem provides custom synthesis services for Arcaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.