3-羟基丙腈
TL;DR: 3-羟基丙腈 (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-羟基丙腈
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
3-羟基丙腈 (CAS 109-78-4), with molecular formula C3H5NO and molecular weight 71.04 g/mol. IUPAC: 3-hydroxypropanenitrile.
Chemical Property Profile of 3-羟基丙腈
Property Insights of 3-羟基丙腈
The XLogP value of -0.9 indicates that 3-羟基丙腈 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, 3-羟基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丙腈 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 3-羟基丙腈?
The CAS number of 3-羟基丙腈 is 109-78-4.
What is the molecular formula of 3-羟基丙腈?
The molecular formula of 3-羟基丙腈 is C3H5NO.
What is the molecular weight of 3-羟基丙腈?
The molecular weight of 3-羟基丙腈 is 71.04 g/mol.
Where can I buy 3-羟基丙腈?
You can request a quote for 3-羟基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.