Hydracrylonitrile
TL;DR: Hydracrylonitrile (CAS 109-78-4) is a chemical compound with molecular formula C3H5NO and molecular weight 71.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypropanenitrile
Also Known As: 3-Hydroxypropionitrile, 3-Hydroxypropanenitrile, Hydracrylonitrile, 2-Cyanoethanol, ETHYLENE CYANOHYDRIN
| Molecular Formula | C3H5NO |
|---|---|
| Molecular Weight | 71.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 71.03712 |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
| Melting Point | -46.1 °C |
| Boiling Point | 227.8 °C at 760 mmHg (slight decomposition) |
| Density | 1.047 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 129.4 °C |
| Vapor Pressure | 0.08 mmHg at 25.0 °C ; 20 mmHg at 117.2 °C |
| Refractive Index | 1.4248 @ 20 °C |
Chemical Identifiers
| CAS Number | 109-78-4 |
|---|---|
| SMILES | C(CO)C#N |
| InChIKey | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydracrylonitrile (CAS 109-78-4), with molecular formula C3H5NO and molecular weight 71.04 g/mol. IUPAC: 3-hydroxypropanenitrile.
Chemical Property Profile of Hydracrylonitrile
Property Insights of Hydracrylonitrile
The XLogP value of -0.9 indicates that Hydracrylonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Hydracrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydracrylonitrile 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
Frequently Asked Questions
What is the CAS number of Hydracrylonitrile?
The CAS number of Hydracrylonitrile is 109-78-4.
What is the molecular formula of Hydracrylonitrile?
The molecular formula of Hydracrylonitrile is C3H5NO.
What is the molecular weight of Hydracrylonitrile?
The molecular weight of Hydracrylonitrile is 71.04 g/mol.
Where can I buy Hydracrylonitrile?
You can request a quote for Hydracrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydracrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for Hydracrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.