Bethanidine
TL;DR: Bethanidine (CAS 55-73-2) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-2,3-dimethylguanidine
Also Known As: Bethanidine, Betanidine, Betanidina, Betanidinum, Tenathan
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H15N3 |
| Molecular Weight | 177.1266 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.1266 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 196 |
| Solubility | 1.58e+00 g/L |
| SMILES | CNC(=NC)NCC1=CC=CC=C1 |
| InChIKey | NIVZHWNOUVJHKV-UHFFFAOYSA-N |
Product Description
Applications: Bethanidine 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).
Bethanidine is a pharmaceutical intermediate identified by CAS number 55-73-2 and the molecular formula C10H15N3 and a molecular weight of 177.13 g/mol. Physically, the compound has a solubility: 1.58e+00 g/L. Synonyms include Bethanidine and Betanidine.
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 Bethanidine
Property Insights of Bethanidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bethanidine. With a topological polar surface area (TPSA) of 36.4 Ų, Bethanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bethanidine has 2 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 Bethanidine?
The CAS number of Bethanidine is 55-73-2.
What is the molecular formula of Bethanidine?
The molecular formula of Bethanidine is C10H15N3.
What is the molecular weight of Bethanidine?
The molecular weight of Bethanidine is 177.1266 g/mol.
What are the applications of Bethanidine?
Bethanidine 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 Bethanidine?
You can request a quote for Bethanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bethanidine?
Yes, CoreyChem provides custom synthesis services for Bethanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.