2-(3-Methylguanidino)ethanol
TL;DR: 2-(3-Methylguanidino)ethanol (CAS 1247227-52-6) is a chemical compound with molecular formula C4H11N3O and molecular weight 117.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethyl)-2-methylguanidine
Also Known As: 2-(3-Methylguanidino)ethanol, 1-(2-Hydroxyethyl)-3-methylguanidine, 1-(2-hydroxyethyl)-2-methylguanidine, N-(2-Hydroxyethyl)-N'-methylguanidine, N-(2-Hydroxyethyl)-N'-methylguanidine #
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H11N3O |
| Molecular Weight | 117.09021 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.09021 Da |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
| SMILES | CN=C(N)NCCO |
| InChIKey | UENIKOYTDINDDE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Methylguanidino)ethanol
Property Insights of 2-(3-Methylguanidino)ethanol
The XLogP value of -1.5 indicates that 2-(3-Methylguanidino)ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methylguanidino)ethanol. Following Lipinski's Rule of Five, 2-(3-Methylguanidino)ethanol has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-Methylguanidino)ethanol?
The CAS number of 2-(3-Methylguanidino)ethanol is 1247227-52-6.
What is the molecular formula of 2-(3-Methylguanidino)ethanol?
The molecular formula of 2-(3-Methylguanidino)ethanol is C4H11N3O.
What is the molecular weight of 2-(3-Methylguanidino)ethanol?
The molecular weight of 2-(3-Methylguanidino)ethanol is 117.09021 g/mol.
Where can I buy 2-(3-Methylguanidino)ethanol?
You can request a quote for 2-(3-Methylguanidino)ethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Methylguanidino)ethanol?
Yes, CoreyChem provides custom synthesis services for 2-(3-Methylguanidino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.