2-Isopropyl-2,3-dimethylbutyronitrile
TL;DR: 2-Isopropyl-2,3-dimethylbutyronitrile (CAS 55897-64-8) is a chemical compound with molecular formula C9H17N and molecular weight 139.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethyl-2-propan-2-ylbutanenitrile
Also Known As: 2-Isopropyl-2,3-dimethyl-butyronitrile, 2-Isopropyl-2,3-dimethylbutyronitrile, diisopropylpropionitrile, 1y1&x1&cn&y1&1, 2,3-Dimethyl-2-isopropylbutanenitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17N |
| Molecular Weight | 139.1361 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.1361 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | CC(C)C(C)(C#N)C(C)C |
| InChIKey | XSQHUYDRSDBCHN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropyl-2,3-dimethylbutyronitrile
Property Insights of 2-Isopropyl-2,3-dimethylbutyronitrile
The XLogP value of 3.0 indicates that 2-Isopropyl-2,3-dimethylbutyronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Isopropyl-2,3-dimethylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-2,3-dimethylbutyronitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Isopropyl-2,3-dimethylbutyronitrile?
The CAS number of 2-Isopropyl-2,3-dimethylbutyronitrile is 55897-64-8.
What is the molecular formula of 2-Isopropyl-2,3-dimethylbutyronitrile?
The molecular formula of 2-Isopropyl-2,3-dimethylbutyronitrile is C9H17N.
What is the molecular weight of 2-Isopropyl-2,3-dimethylbutyronitrile?
The molecular weight of 2-Isopropyl-2,3-dimethylbutyronitrile is 139.1361 g/mol.
Where can I buy 2-Isopropyl-2,3-dimethylbutyronitrile?
You can request a quote for 2-Isopropyl-2,3-dimethylbutyronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropyl-2,3-dimethylbutyronitrile?
Yes, CoreyChem provides custom synthesis services for 2-Isopropyl-2,3-dimethylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.