2,3-Diethyl-2,3-dimethylbutanedinitrile
TL;DR: 2,3-Diethyl-2,3-dimethylbutanedinitrile (CAS 85688-81-9) 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.
2,3-diethyl-2,3-dimethylbutanedinitrile
Also Known As: 2,3-Diethyl-2,3-dimethylbutanedinitrile, HCFC 225aa, 2,3-Diaethoxy-chinoxalin, 2,3-Diethyl-2,3-dimethylsuccinonitrile, Butanedinitrile, 2,3-diethyl-2,3-dimethyl-
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.2 |
| 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 | 224.0 |
Chemical Identifiers
| CAS Number | 85688-81-9 |
|---|---|
| SMILES | CCC(C)(C#N)C(C)(CC)C#N |
| InChIKey | YPKRPUBUHLHYRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diethyl-2,3-dimethylbutanedinitrile (CAS 85688-81-9), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 2,3-diethyl-2,3-dimethylbutanedinitrile.
Chemical Property Profile of 2,3-Diethyl-2,3-dimethylbutanedinitrile
Property Insights of 2,3-Diethyl-2,3-dimethylbutanedinitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diethyl-2,3-dimethylbutanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-Diethyl-2,3-dimethylbutanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diethyl-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
Frequently Asked Questions
What is the CAS number of 2,3-Diethyl-2,3-dimethylbutanedinitrile?
The CAS number of 2,3-Diethyl-2,3-dimethylbutanedinitrile is 85688-81-9.
What is the molecular formula of 2,3-Diethyl-2,3-dimethylbutanedinitrile?
The molecular formula of 2,3-Diethyl-2,3-dimethylbutanedinitrile is C10H16N2.
What is the molecular weight of 2,3-Diethyl-2,3-dimethylbutanedinitrile?
The molecular weight of 2,3-Diethyl-2,3-dimethylbutanedinitrile is 164.13 g/mol.
Where can I buy 2,3-Diethyl-2,3-dimethylbutanedinitrile?
You can request a quote for 2,3-Diethyl-2,3-dimethylbutanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diethyl-2,3-dimethylbutanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diethyl-2,3-dimethylbutanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.