1-Cyano-2-(hydroxymethyl)guanidine
TL;DR: 1-Cyano-2-(hydroxymethyl)guanidine (CAS 13101-26-3) is a chemical compound with molecular formula C3H6N4O and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(hydroxymethyl)guanidine
Also Known As: 1-cyano-2-(hydroxymethyl)guanidine, Guanidine,N-cyano(hydroxymethyl), Guanidine, cyano(hydroxymethyl)-, N-Cyano-N'-(hydroxymethyl)guanidine, N-Cyano-N/'-(hydroxymethyl)guanidine
| Molecular Formula | C3H6N4O |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.05416 |
| Heavy Atoms | 8 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 13101-26-3 |
|---|---|
| SMILES | C(N=C(N)NC#N)O |
| InChIKey | XFIZJENETBUYNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-2-(hydroxymethyl)guanidine (CAS 13101-26-3), with molecular formula C3H6N4O and molecular weight 114.05 g/mol. IUPAC: 1-cyano-2-(hydroxymethyl)guanidine.
Chemical Property Profile of 1-Cyano-2-(hydroxymethyl)guanidine
Property Insights of 1-Cyano-2-(hydroxymethyl)guanidine
The XLogP value of -1.5 indicates that 1-Cyano-2-(hydroxymethyl)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-2-(hydroxymethyl)guanidine. Following Lipinski's Rule of Five, 1-Cyano-2-(hydroxymethyl)guanidine has 3 hydrogen bond donor(s) and 3 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-2-(hydroxymethyl)guanidine?
The CAS number of 1-Cyano-2-(hydroxymethyl)guanidine is 13101-26-3.
What is the molecular formula of 1-Cyano-2-(hydroxymethyl)guanidine?
The molecular formula of 1-Cyano-2-(hydroxymethyl)guanidine is C3H6N4O.
What is the molecular weight of 1-Cyano-2-(hydroxymethyl)guanidine?
The molecular weight of 1-Cyano-2-(hydroxymethyl)guanidine is 114.05 g/mol.
Where can I buy 1-Cyano-2-(hydroxymethyl)guanidine?
You can request a quote for 1-Cyano-2-(hydroxymethyl)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-2-(hydroxymethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2-(hydroxymethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.