2-Cyanoethyl acrylate
TL;DR: 2-Cyanoethyl acrylate (CAS 106-71-8) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl prop-2-enoate
Also Known As: 2-CYANOETHYL ACRYLATE, Cyanoethyl acrylate, 2-cyanoethyl prop-2-enoate, beta-cyanoethyl acrylate, 2-Cyanoethyl propenoate
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
| Melting Point | Freezing point: -16.9 °C |
| Density | 2.069 |
| Solubility | Soluble in water |
| Flash Point | 124 °C |
| Vapor Pressure | 0.22 [mmHg] |
Chemical Identifiers
| CAS Number | 106-71-8 |
|---|---|
| SMILES | C=CC(=O)OCCC#N |
| InChIKey | AEPWOCLBLLCOGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanoethyl acrylate (CAS 106-71-8), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: 2-cyanoethyl prop-2-enoate.
Chemical Property Profile of 2-Cyanoethyl acrylate
Property Insights of 2-Cyanoethyl acrylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl acrylate. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanoethyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethyl acrylate has 0 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 2-Cyanoethyl acrylate?
The CAS number of 2-Cyanoethyl acrylate is 106-71-8.
What is the molecular formula of 2-Cyanoethyl acrylate?
The molecular formula of 2-Cyanoethyl acrylate is C6H7NO2.
What is the molecular weight of 2-Cyanoethyl acrylate?
The molecular weight of 2-Cyanoethyl acrylate is 125.05 g/mol.
Where can I buy 2-Cyanoethyl acrylate?
You can request a quote for 2-Cyanoethyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.