N-(tert-Butyl)-N'-cyanoguanidine
TL;DR: N-(tert-Butyl)-N'-cyanoguanidine (CAS 2081-74-5) is a chemical compound with molecular formula C6H12N4 and molecular weight 140.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-cyanoguanidine
Also Known As: 1-tert-butyl-2-cyanoguanidine, 2-tert-butyl-1-cyanoguanidine, N-(tert-Butyl)-N'-cyanoguanidine, 1-tert-butyl-3-cyano-guanidine, N-tert-butyl-N'-cyano-guanidine
| Molecular Formula | C6H12N4 |
|---|---|
| Molecular Weight | 140.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.1062 |
| Heavy Atoms | 10 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2081-74-5 |
|---|---|
| SMILES | CC(C)(C)N=C(N)NC#N |
| InChIKey | NGKJPYUHFKVHOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(tert-Butyl)-N'-cyanoguanidine (CAS 2081-74-5), with molecular formula C6H12N4 and molecular weight 140.11 g/mol. IUPAC: 2-tert-butyl-1-cyanoguanidine.
Chemical Property Profile of N-(tert-Butyl)-N'-cyanoguanidine
Property Insights of N-(tert-Butyl)-N'-cyanoguanidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butyl)-N'-cyanoguanidine. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butyl)-N'-cyanoguanidine. Following Lipinski's Rule of Five, N-(tert-Butyl)-N'-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
Frequently Asked Questions
What is the CAS number of N-(tert-Butyl)-N'-cyanoguanidine?
The CAS number of N-(tert-Butyl)-N'-cyanoguanidine is 2081-74-5.
What is the molecular formula of N-(tert-Butyl)-N'-cyanoguanidine?
The molecular formula of N-(tert-Butyl)-N'-cyanoguanidine is C6H12N4.
What is the molecular weight of N-(tert-Butyl)-N'-cyanoguanidine?
The molecular weight of N-(tert-Butyl)-N'-cyanoguanidine is 140.11 g/mol.
Where can I buy N-(tert-Butyl)-N'-cyanoguanidine?
You can request a quote for N-(tert-Butyl)-N'-cyanoguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-Butyl)-N'-cyanoguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butyl)-N'-cyanoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.