1-Cyano-3-(1-methylethyl)guanidine
TL;DR: 1-Cyano-3-(1-methylethyl)guanidine (CAS 44830-55-9) is a chemical compound with molecular formula C5H10N4 and molecular weight 126.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-propan-2-ylguanidine
Also Known As: 1-Cyano-3-isopropylguanidine, Proguanil related compound A, Isopropyldicyandiamide, 1-Cyano-3-(1-methylethyl)guanidine, 1-cyano-2-propan-2-ylguanidine
| Molecular Formula | C5H10N4 |
|---|---|
| Molecular Weight | 126.09 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 | 126.090546 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 44830-55-9 |
|---|---|
| SMILES | CC(C)N=C(N)NC#N |
| InChIKey | SRUGWSFEPMKUAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-3-(1-methylethyl)guanidine (CAS 44830-55-9), with molecular formula C5H10N4 and molecular weight 126.09 g/mol. IUPAC: 1-cyano-2-propan-2-ylguanidine.
Chemical Property Profile of 1-Cyano-3-(1-methylethyl)guanidine
Property Insights of 1-Cyano-3-(1-methylethyl)guanidine
The XLogP value of -0.1 indicates that 1-Cyano-3-(1-methylethyl)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-3-(1-methylethyl)guanidine. Following Lipinski's Rule of Five, 1-Cyano-3-(1-methylethyl)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-(1-methylethyl)guanidine?
The CAS number of 1-Cyano-3-(1-methylethyl)guanidine is 44830-55-9.
What is the molecular formula of 1-Cyano-3-(1-methylethyl)guanidine?
The molecular formula of 1-Cyano-3-(1-methylethyl)guanidine is C5H10N4.
What is the molecular weight of 1-Cyano-3-(1-methylethyl)guanidine?
The molecular weight of 1-Cyano-3-(1-methylethyl)guanidine is 126.09 g/mol.
Where can I buy 1-Cyano-3-(1-methylethyl)guanidine?
You can request a quote for 1-Cyano-3-(1-methylethyl)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-(1-methylethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-3-(1-methylethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.