2,2-Diethylbutanenitrile
TL;DR: 2,2-Diethylbutanenitrile (CAS 34579-88-9) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylbutanenitrile
Also Known As: 2,2-diethylbutanenitrile, 2,2-Diethyl-Butyronitrile, Butyronitrile, 2,2-diethyl-, TRIETHYLACETONITRILE, NCIOpen2_000368
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 34579-88-9 |
|---|---|
| SMILES | CCC(CC)(CC)C#N |
| InChIKey | BNECGDCGGVACFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Diethylbutanenitrile (CAS 34579-88-9), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2,2-diethylbutanenitrile.
Chemical Property Profile of 2,2-Diethylbutanenitrile
Property Insights of 2,2-Diethylbutanenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethylbutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2-Diethylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylbutanenitrile 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
Frequently Asked Questions
What is the CAS number of 2,2-Diethylbutanenitrile?
The CAS number of 2,2-Diethylbutanenitrile is 34579-88-9.
What is the molecular formula of 2,2-Diethylbutanenitrile?
The molecular formula of 2,2-Diethylbutanenitrile is C8H15N.
What is the molecular weight of 2,2-Diethylbutanenitrile?
The molecular weight of 2,2-Diethylbutanenitrile is 125.12 g/mol.
Where can I buy 2,2-Diethylbutanenitrile?
You can request a quote for 2,2-Diethylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.