1,3-Dimethyl-2-cyanoguanidine
TL;DR: 1,3-Dimethyl-2-cyanoguanidine (CAS 31857-31-5) is a chemical compound with molecular formula C4H8N4 and molecular weight 112.0749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyano-2,3-dimethylguanidine
Also Known As: 1,3-Dimethyl-2-cyanoguanidine, Cimetidine EP Impurity G, cyanoDMG, 2-cyano-1,3-dimethylguanidine, N-Cyano-N',N''-dimethylguanidine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8N4 |
| Molecular Weight | 112.0749 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.0749 Da |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
| SMILES | CNC(=NC)NC#N |
| InChIKey | KPUBXONXNWPZIN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dimethyl-2-cyanoguanidine
Property Insights of 1,3-Dimethyl-2-cyanoguanidine
The XLogP value of -0.4 indicates that 1,3-Dimethyl-2-cyanoguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2-cyanoguanidine. Following Lipinski's Rule of Five, 1,3-Dimethyl-2-cyanoguanidine has 2 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 1,3-Dimethyl-2-cyanoguanidine?
The CAS number of 1,3-Dimethyl-2-cyanoguanidine is 31857-31-5.
What is the molecular formula of 1,3-Dimethyl-2-cyanoguanidine?
The molecular formula of 1,3-Dimethyl-2-cyanoguanidine is C4H8N4.
What is the molecular weight of 1,3-Dimethyl-2-cyanoguanidine?
The molecular weight of 1,3-Dimethyl-2-cyanoguanidine is 112.0749 g/mol.
Where can I buy 1,3-Dimethyl-2-cyanoguanidine?
You can request a quote for 1,3-Dimethyl-2-cyanoguanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dimethyl-2-cyanoguanidine?
Yes, CoreyChem provides custom synthesis services for 1,3-Dimethyl-2-cyanoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.