1-Cyano-3-(3,4-dimethylphenyl)guanidine
TL;DR: 1-Cyano-3-(3,4-dimethylphenyl)guanidine (CAS 197311-81-2) is a chemical compound with molecular formula C10H12N4 and molecular weight 188.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(3,4-dimethylphenyl)guanidine
Also Known As: 1-cyano-3-(3,4-dimethylphenyl)guanidine, 1-cyano-2-(3,4-dimethylphenyl)guanidine, G004
| Molecular Formula | C10H12N4 |
|---|---|
| Molecular Weight | 188.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.1062 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 197311-81-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C(N)NC#N)C |
| InChIKey | GRVLCLVSJKDHMA-UHFFFAOYSA-N |
Product Overview
1-Cyano-3-(3,4-dimethylphenyl)guanidine (CAS 197311-81-2), with molecular formula C10H12N4 and molecular weight 188.11 g/mol. IUPAC: 1-cyano-2-(3,4-dimethylphenyl)guanidine.
Chemical Property Profile of 1-Cyano-3-(3,4-dimethylphenyl)guanidine
Property Insights of 1-Cyano-3-(3,4-dimethylphenyl)guanidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-3-(3,4-dimethylphenyl)guanidine. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-3-(3,4-dimethylphenyl)guanidine. Following Lipinski's Rule of Five, 1-Cyano-3-(3,4-dimethylphenyl)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 1-Cyano-3-(3,4-dimethylphenyl)guanidine?
The CAS number of 1-Cyano-3-(3,4-dimethylphenyl)guanidine is 197311-81-2.
What is the molecular formula of 1-Cyano-3-(3,4-dimethylphenyl)guanidine?
The molecular formula of 1-Cyano-3-(3,4-dimethylphenyl)guanidine is C10H12N4.
What is the molecular weight of 1-Cyano-3-(3,4-dimethylphenyl)guanidine?
The molecular weight of 1-Cyano-3-(3,4-dimethylphenyl)guanidine is 188.11 g/mol.
Where can I buy 1-Cyano-3-(3,4-dimethylphenyl)guanidine?
You can request a quote for 1-Cyano-3-(3,4-dimethylphenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-3-(3,4-dimethylphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-3-(3,4-dimethylphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.