N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
TL;DR: N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine (CAS 60559-94-6) is a chemical compound with molecular formula C11H15N5 and molecular weight 217.13275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine
Also Known As: n'-cyano-n-n''- guanidine, P 1060, N'-cyano-N- -N''- guanidine, N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine, 1-tert-Butyl-2-cyano-3-(3-pyridyl)guanidine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15N5 |
| Molecular Weight | 217.13275 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.13275 Da |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
| SMILES | CC(C)(C)N=C(NC#N)NC1=CN=CC=C1 |
| InChIKey | TXXOFXVEUPZZHB-UHFFFAOYSA-N |
Chemical Property Profile of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
Property Insights of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine. Following Lipinski's Rule of Five, N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine?
The CAS number of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine is 60559-94-6.
What is the molecular formula of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine?
The molecular formula of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine is C11H15N5.
What is the molecular weight of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine?
The molecular weight of N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine is 217.13275 g/mol.
Where can I buy N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine?
You can request a quote for N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine?
Yes, CoreyChem provides custom synthesis services for N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.