乳腈
TL;DR: 乳腈 (CAS 78-97-7) 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.
乳腈
2-hydroxypropanenitrile
Also Known As: Lactonitrile, 2-HYDROXYPROPANENITRILE, 2-Hydroxypropionitrile, Acetocyanohydrin, DL-Lactonitrile
| Molecular Formula | C3H5NO |
|---|---|
| Molecular Weight | 71.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 71.03712 |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
| Melting Point | -40.0 °C |
| Boiling Point | 360 to 183.9 °C at 760 mmHg Slight decomposition |
| Density | 0.9877 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 76.7 °C |
| Vapor Pressure | 10 mmHg at 74.0 °C |
| Refractive Index | 1.4058 @ 18 °C |
Chemical Identifiers
| CAS Number | 78-97-7 |
|---|---|
| SMILES | CC(C#N)O |
| InChIKey | WOFDVDFSGLBFAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乳腈 (CAS 78-97-7), with molecular formula C3H5NO and molecular weight 71.04 g/mol. IUPAC: 2-hydroxypropanenitrile.
Chemical Property Profile of 乳腈
Property Insights of 乳腈
The XLogP value of -0.3 indicates that 乳腈 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, 乳腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乳腈 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 乳腈?
The CAS number of 乳腈 is 78-97-7.
What is the molecular formula of 乳腈?
The molecular formula of 乳腈 is C3H5NO.
What is the molecular weight of 乳腈?
The molecular weight of 乳腈 is 71.04 g/mol.
Where can I buy 乳腈?
You can request a quote for 乳腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乳腈?
Yes, KEHONG BIO provides custom synthesis services for 乳腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.