Cyanoacetamide
TL;DR: Cyanoacetamide (CAS 107-91-5) is a chemical compound with molecular formula C3H4N2O and molecular weight 84.032364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyanoacetamide
Also Known As: 2-Cyanoacetamide, CYANOACETAMIDE, Cyanacetamide, Acetamide, 2-cyano-, Malonamide nitrile
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4N2O |
| Molecular Weight | 84.032364 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.032364 Da |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
| Melting Point | 119.5 °C |
| Boiling Point | BP: DECOMPOSES |
| Solubility | 1 G DISSOLVES IN 6.5 ML COLD WATER; 1.3 G @ 0 °C IN 100 ML OF 95% ALCOHOL; 3.1 G @ 26 °C IN 100 ML OF 95% ALCOHOL; 7.0 G @ 44 °C IN 100 ML OF 95% ALCOHOL; 14.0 G @ 62 °C IN 100 ML OF 95% ALCOHOL; 21.5 G @ 71 °C IN 100 ML OF 95% ALCOHOL |
| SMILES | C(C#N)C(=O)N |
| InChIKey | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
Chemical Property Profile of Cyanoacetamide
Property Insights of Cyanoacetamide
The XLogP value of -1.0 indicates that Cyanoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanoacetamide. Following Lipinski's Rule of Five, Cyanoacetamide has 1 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 Cyanoacetamide?
The CAS number of Cyanoacetamide is 107-91-5.
What is the molecular formula of Cyanoacetamide?
The molecular formula of Cyanoacetamide is C3H4N2O.
What is the molecular weight of Cyanoacetamide?
The molecular weight of Cyanoacetamide is 84.032364 g/mol.
Where can I buy Cyanoacetamide?
You can request a quote for Cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for Cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.