2,3-Dimethylbutanedinitrile
TL;DR: 2,3-Dimethylbutanedinitrile (CAS 16411-13-5) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethylbutanedinitrile
Also Known As: 2,3-dimethylbutanedinitrile, 2,3-dicyanobutane, 2,3-Dimethylsuccinonitrile, 2,3-dimethyl-butanedinitrile, Succinonitrile, 2,3-dimethyl-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.06875 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.06875 Da |
| Heavy Atoms | 8 |
| Complexity | 134.0 |
| SMILES | CC(C#N)C(C)C#N |
| InChIKey | UJEJQKVERRRQQD-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dimethylbutanedinitrile
Property Insights of 2,3-Dimethylbutanedinitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylbutanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-Dimethylbutanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylbutanedinitrile has 0 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 2,3-Dimethylbutanedinitrile?
The CAS number of 2,3-Dimethylbutanedinitrile is 16411-13-5.
What is the molecular formula of 2,3-Dimethylbutanedinitrile?
The molecular formula of 2,3-Dimethylbutanedinitrile is C6H8N2.
What is the molecular weight of 2,3-Dimethylbutanedinitrile?
The molecular weight of 2,3-Dimethylbutanedinitrile is 108.06875 g/mol.
Where can I buy 2,3-Dimethylbutanedinitrile?
You can request a quote for 2,3-Dimethylbutanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dimethylbutanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2,3-Dimethylbutanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.