2-Ethyl-2-methylbutanenitrile
TL;DR: 2-Ethyl-2-methylbutanenitrile (CAS 21864-76-6) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-methylbutanenitrile
Also Known As: 2-ethyl-2-methylbutanenitrile, 2-ethyl-2-methyl-butanenitrile, 2-ETHYL-2-METHYLBUTYRONITRILE, 3-Methylpentyl-3-cyanid, Methyldiaethylessigsaurenitril
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 2.33628 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 95.44468 |
Chemical Identifiers
| CAS Number | 21864-76-6 |
|---|---|
| SMILES | CCC(C)(CC)C#N |
Product Overview
2-Ethyl-2-methylbutanenitrile (CAS 21864-76-6), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 2-ethyl-2-methylbutanenitrile.
Chemical Property Profile of 2-Ethyl-2-methylbutanenitrile
Property Insights of 2-Ethyl-2-methylbutanenitrile
The XLogP value of 2.33628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-methylbutanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Ethyl-2-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-methylbutanenitrile 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-Ethyl-2-methylbutanenitrile?
The CAS number of 2-Ethyl-2-methylbutanenitrile is 21864-76-6.
What is the molecular formula of 2-Ethyl-2-methylbutanenitrile?
The molecular formula of 2-Ethyl-2-methylbutanenitrile is C7H13N.
What is the molecular weight of 2-Ethyl-2-methylbutanenitrile?
The molecular weight of 2-Ethyl-2-methylbutanenitrile is 111.10 g/mol.
Where can I buy 2-Ethyl-2-methylbutanenitrile?
You can request a quote for 2-Ethyl-2-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.