2,2,3,3-Tetramethylbutanedinitrile
TL;DR: 2,2,3,3-Tetramethylbutanedinitrile (CAS 3333-52-6) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3-tetramethylbutanedinitrile
Also Known As: Tetramethylsuccinonitrile, 2,2,3,3-Tetramethylsuccinonitrile, 2,2,3,3-Tetramethylbutanedinitrile, TMSN, Tetramethylsuccinotrile
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 192.0 |
| Melting Point | 338.9 to 171.5 °C (sublimes) |
| Boiling Point | Sublimes |
| Density | 1.07 |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| Vapor Pressure | 1.15X10-3 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 3333-52-6 |
|---|---|
| SMILES | CC(C)(C#N)C(C)(C)C#N |
| InChIKey | ZVQXQPNJHRNGID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3,3-Tetramethylbutanedinitrile (CAS 3333-52-6), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 2,2,3,3-tetramethylbutanedinitrile.
Chemical Property Profile of 2,2,3,3-Tetramethylbutanedinitrile
Property Insights of 2,2,3,3-Tetramethylbutanedinitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3-Tetramethylbutanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2,3,3-Tetramethylbutanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3-Tetramethylbutanedinitrile 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 2,2,3,3-Tetramethylbutanedinitrile?
The CAS number of 2,2,3,3-Tetramethylbutanedinitrile is 3333-52-6.
What is the molecular formula of 2,2,3,3-Tetramethylbutanedinitrile?
The molecular formula of 2,2,3,3-Tetramethylbutanedinitrile is C8H12N2.
What is the molecular weight of 2,2,3,3-Tetramethylbutanedinitrile?
The molecular weight of 2,2,3,3-Tetramethylbutanedinitrile is 136.10 g/mol.
Where can I buy 2,2,3,3-Tetramethylbutanedinitrile?
You can request a quote for 2,2,3,3-Tetramethylbutanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3-Tetramethylbutanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3-Tetramethylbutanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.