Malononitrile, neopentylidene-
TL;DR: Malononitrile, neopentylidene- (CAS 22123-53-1) is a chemical compound with molecular formula C8H10N2 and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropylidene)propanedinitrile
Also Known As: Malononitrile, neopentylidene-, (2,2-dimethylpropylidene)malononitrile, 2,2-Dimethylpropylidenemalononitrile, 2-(2,2-Dimethylpropylidene)malononitrile, 2-(2,2-dimethylpropylidene)propanedinitrile
| Molecular Formula | C8H10N2 |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.0844 |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 22123-53-1 |
|---|---|
| SMILES | CC(C)(C)C=C(C#N)C#N |
| InChIKey | PLIHKJFNCMBRFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malononitrile, neopentylidene- (CAS 22123-53-1), with molecular formula C8H10N2 and molecular weight 134.08 g/mol. IUPAC: 2-(2,2-dimethylpropylidene)propanedinitrile.
Chemical Property Profile of Malononitrile, neopentylidene-
Property Insights of Malononitrile, neopentylidene-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, neopentylidene-. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile, neopentylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, neopentylidene- 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 Malononitrile, neopentylidene-?
The CAS number of Malononitrile, neopentylidene- is 22123-53-1.
What is the molecular formula of Malononitrile, neopentylidene-?
The molecular formula of Malononitrile, neopentylidene- is C8H10N2.
What is the molecular weight of Malononitrile, neopentylidene-?
The molecular weight of Malononitrile, neopentylidene- is 134.08 g/mol.
Where can I buy Malononitrile, neopentylidene-?
You can request a quote for Malononitrile, neopentylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, neopentylidene-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, neopentylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.