羟基乙腈
TL;DR: 羟基乙腈 (CAS 107-16-4) is a chemical compound with molecular formula C2H3NO and molecular weight 57.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基乙腈
2-hydroxyacetonitrile
Also Known As: GLYCOLONITRILE, Hydroxyacetonitrile, Cyanomethanol, 2-Hydroxyacetonitrile, Glycolic nitrile
| Molecular Formula | C2H3NO |
|---|---|
| Molecular Weight | 57.02 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 57.021465 |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Melting Point | Less than -72.2 °C |
| Boiling Point | 182.8 °C at 760 mmHg with slight decomposition |
| Density | 1.1 at 18.9 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 1 mmHg at 63.0 °C |
| Refractive Index | 1.4090 @ 25 °C |
Chemical Identifiers
| CAS Number | 107-16-4 |
|---|---|
| SMILES | C(C#N)O |
| InChIKey | LTYRAPJYLUPLCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟基乙腈 (CAS 107-16-4), with molecular formula C2H3NO and molecular weight 57.02 g/mol. IUPAC: 2-hydroxyacetonitrile.
Chemical Property Profile of 羟基乙腈
Property Insights of 羟基乙腈
The XLogP value of -0.7 indicates that 羟基乙腈 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, 羟基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟基乙腈 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 羟基乙腈?
The CAS number of 羟基乙腈 is 107-16-4.
What is the molecular formula of 羟基乙腈?
The molecular formula of 羟基乙腈 is C2H3NO.
What is the molecular weight of 羟基乙腈?
The molecular weight of 羟基乙腈 is 57.02 g/mol.
Where can I buy 羟基乙腈?
You can request a quote for 羟基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 羟基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.