2-Hydroxy-2-methylbutyronitrile
TL;DR: 2-Hydroxy-2-methylbutyronitrile (CAS 4111-08-4) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methylbutanenitrile
Also Known As: 2-Hydroxy-2-methylbutanenitrile, Butanone cyanohydrin, 2-Hydroxy-2-methylbutyronitrile, Methyl ethyl cyanohydrin, 2-Cyano-2-butanol
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4111-08-4 |
|---|---|
| SMILES | CCC(C)(C#N)O |
| InChIKey | VMEHOTODTPXCKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2-methylbutyronitrile (CAS 4111-08-4), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 2-hydroxy-2-methylbutanenitrile.
Chemical Property Profile of 2-Hydroxy-2-methylbutyronitrile
Property Insights of 2-Hydroxy-2-methylbutyronitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-methylbutyronitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxy-2-methylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-methylbutyronitrile 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 2-Hydroxy-2-methylbutyronitrile?
The CAS number of 2-Hydroxy-2-methylbutyronitrile is 4111-08-4.
What is the molecular formula of 2-Hydroxy-2-methylbutyronitrile?
The molecular formula of 2-Hydroxy-2-methylbutyronitrile is C5H9NO.
What is the molecular weight of 2-Hydroxy-2-methylbutyronitrile?
The molecular weight of 2-Hydroxy-2-methylbutyronitrile is 99.07 g/mol.
Where can I buy 2-Hydroxy-2-methylbutyronitrile?
You can request a quote for 2-Hydroxy-2-methylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-methylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-methylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.