丙酮氰醇
TL;DR: 丙酮氰醇 (CAS 75-86-5) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酮氰醇
2-hydroxy-2-methylpropanenitrile
Also Known As: ACETONE CYANOHYDRIN, Acetone cyanhydrin, 2-Hydroxy-2-methylpropanenitrile, 2-Methyllactonitrile, Acetoncyanhydrin
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
| Melting Point | -19.0 °C |
| Boiling Point | 82.2 °C at 23 mmHg |
| Density | 0.9267 at 25.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 73.9 °C |
| Vapor Pressure | 0.8 mmHg at 20.0 °C |
| Refractive Index | 1.3992 at 20 °C |
Chemical Identifiers
| CAS Number | 75-86-5 |
|---|---|
| SMILES | CC(C)(C#N)O |
| InChIKey | MWFMGBPGAXYFAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酮氰醇 (CAS 75-86-5), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 2-hydroxy-2-methylpropanenitrile.
Chemical Property Profile of 丙酮氰醇
Property Insights of 丙酮氰醇
The XLogP value of -0.1 indicates that 丙酮氰醇 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, 丙酮氰醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酮氰醇 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 丙酮氰醇?
The CAS number of 丙酮氰醇 is 75-86-5.
What is the molecular formula of 丙酮氰醇?
The molecular formula of 丙酮氰醇 is C4H7NO.
What is the molecular weight of 丙酮氰醇?
The molecular weight of 丙酮氰醇 is 85.05 g/mol.
Where can I buy 丙酮氰醇?
You can request a quote for 丙酮氰醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酮氰醇?
Yes, KEHONG BIO provides custom synthesis services for 丙酮氰醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.