Ethyl(1,1-dimethylpropyl)malononitrile
TL;DR: Ethyl(1,1-dimethylpropyl)malononitrile (CAS 85688-95-5) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(2-methylbutan-2-yl)propanedinitrile
Also Known As: Ethyl malononitrile, Ethyl(1,1-dimethylpropyl)malononitrile, 2-ethyl-2-(tert-pentyl)malononitrile, ethyl(2-methylbutan-2-yl)propanedinitrile, 2-ethyl-2-(2-methylbutan-2-yl)propanedinitrile
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 85688-95-5 |
|---|---|
| SMILES | CCC(C)(C)C(CC)(C#N)C#N |
| InChIKey | PGJYGIZMFMZNAZ-UHFFFAOYSA-N |
Product Overview
Ethyl(1,1-dimethylpropyl)malononitrile (CAS 85688-95-5), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 2-ethyl-2-(2-methylbutan-2-yl)propanedinitrile.
Chemical Property Profile of Ethyl(1,1-dimethylpropyl)malononitrile
Property Insights of Ethyl(1,1-dimethylpropyl)malononitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(1,1-dimethylpropyl)malononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Ethyl(1,1-dimethylpropyl)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(1,1-dimethylpropyl)malononitrile 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
Frequently Asked Questions
What is the CAS number of Ethyl(1,1-dimethylpropyl)malononitrile?
The CAS number of Ethyl(1,1-dimethylpropyl)malononitrile is 85688-95-5.
What is the molecular formula of Ethyl(1,1-dimethylpropyl)malononitrile?
The molecular formula of Ethyl(1,1-dimethylpropyl)malononitrile is C10H16N2.
What is the molecular weight of Ethyl(1,1-dimethylpropyl)malononitrile?
The molecular weight of Ethyl(1,1-dimethylpropyl)malononitrile is 164.13 g/mol.
Where can I buy Ethyl(1,1-dimethylpropyl)malononitrile?
You can request a quote for Ethyl(1,1-dimethylpropyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(1,1-dimethylpropyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(1,1-dimethylpropyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.