beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile
TL;DR: beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile (CAS 105041-69-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-methyl-3-phenylbutanenitrile
Also Known As: 3-hydroxy-2-methyl-3-phenylbutanenitrile, 2-Methyl-3-hydroxy-3-phenylbutanenitrile, 3-hydroxy-3-phenyl-2-methylbutyronitrile, BAS 00637542, 3-Hydroxy-2-methyl-3-phenyl-butyronitrile
Technical Specifications
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.09972 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 Da |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| SMILES | CC(C#N)C(C)(C1=CC=CC=C1)O |
| InChIKey | JFCXWLWDDNDPIN-UHFFFAOYSA-N |
Chemical Property Profile of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile
Property Insights of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile 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
What is the CAS number of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile?
The CAS number of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile is 105041-69-8.
What is the molecular formula of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile?
The molecular formula of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile is C11H13NO.
What is the molecular weight of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile?
The molecular weight of beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile is 175.09972 g/mol.
Where can I buy beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile?
You can request a quote for beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile?
Yes, CoreyChem provides custom synthesis services for beta-Hydroxy-alpha,beta-dimethylbenzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.