2,2-Diethylmalononitrile
TL;DR: 2,2-Diethylmalononitrile (CAS 28118-33-4) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylpropanedinitrile
Also Known As: 2,2-diethylmalononitrile, diethylpropanedinitrile, 2,2-diethylpropanedinitrile, Diaethylmalonitril, diethylmalononitrile
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 1.83996 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 138.73541 |
Chemical Identifiers
| CAS Number | 28118-33-4 |
|---|---|
| SMILES | CCC(CC)(C#N)C#N |
Product Overview
2,2-Diethylmalononitrile (CAS 28118-33-4), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 2,2-diethylpropanedinitrile.
Chemical Property Profile of 2,2-Diethylmalononitrile
Property Insights of 2,2-Diethylmalononitrile
The XLogP value of 1.83996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethylmalononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2,2-Diethylmalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylmalononitrile 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 2,2-Diethylmalononitrile?
The CAS number of 2,2-Diethylmalononitrile is 28118-33-4.
What is the molecular formula of 2,2-Diethylmalononitrile?
The molecular formula of 2,2-Diethylmalononitrile is C7H10N2.
What is the molecular weight of 2,2-Diethylmalononitrile?
The molecular weight of 2,2-Diethylmalononitrile is 122.08 g/mol.
Where can I buy 2,2-Diethylmalononitrile?
You can request a quote for 2,2-Diethylmalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylmalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylmalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.