N-Cyano-N'-(1,1-dimethylpropyl)guanidine
TL;DR: N-Cyano-N'-(1,1-dimethylpropyl)guanidine (CAS 1113-10-6) is a chemical compound with molecular formula C7H14N4 and molecular weight 154.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(2-methylbutan-2-yl)guanidine
Also Known As: Guancydine, Guancidine, Guancidina, Guancidinum, guancidin
| Molecular Formula | C7H14N4 |
|---|---|
| Molecular Weight | 154.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.12184 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 1113-10-6 |
|---|---|
| SMILES | CCC(C)(C)N=C(N)NC#N |
| InChIKey | VZVGEDRCVUKSEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Cyano-N'-(1,1-dimethylpropyl)guanidine (CAS 1113-10-6), with molecular formula C7H14N4 and molecular weight 154.12 g/mol. IUPAC: 1-cyano-2-(2-methylbutan-2-yl)guanidine.
Chemical Property Profile of N-Cyano-N'-(1,1-dimethylpropyl)guanidine
Property Insights of N-Cyano-N'-(1,1-dimethylpropyl)guanidine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-N'-(1,1-dimethylpropyl)guanidine. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyano-N'-(1,1-dimethylpropyl)guanidine. Following Lipinski's Rule of Five, N-Cyano-N'-(1,1-dimethylpropyl)guanidine 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-Cyano-N'-(1,1-dimethylpropyl)guanidine?
The CAS number of N-Cyano-N'-(1,1-dimethylpropyl)guanidine is 1113-10-6.
What is the molecular formula of N-Cyano-N'-(1,1-dimethylpropyl)guanidine?
The molecular formula of N-Cyano-N'-(1,1-dimethylpropyl)guanidine is C7H14N4.
What is the molecular weight of N-Cyano-N'-(1,1-dimethylpropyl)guanidine?
The molecular weight of N-Cyano-N'-(1,1-dimethylpropyl)guanidine is 154.12 g/mol.
Where can I buy N-Cyano-N'-(1,1-dimethylpropyl)guanidine?
You can request a quote for N-Cyano-N'-(1,1-dimethylpropyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-N'-(1,1-dimethylpropyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-N'-(1,1-dimethylpropyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.