2-(1,2-Dimethyl-propylidene)-malononitrile
TL;DR: 2-(1,2-Dimethyl-propylidene)-malononitrile (CAS 13017-52-2) 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-(3-methylbutan-2-ylidene)propanedinitrile
Also Known As: 2-(1,2-Dimethylpropylidene)malononitrile, Propanedinitrile, (1,2-dimethylpropylidene)-, 1,2-Dimethylpropylidenemalononitrile, 2-(3-methylbutan-2-ylidene)propanedinitrile, 2-Cyan-3-isopropyl-crotonsaeurenitril
| Molecular Formula | C8H10N2 |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 2.1 |
| 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 | 223.0 |
Chemical Identifiers
| CAS Number | 13017-52-2 |
|---|---|
| SMILES | CC(C)C(=C(C#N)C#N)C |
| InChIKey | SZQDVOLRVOUCSJ-UHFFFAOYSA-N |
Product Overview
2-(1,2-Dimethyl-propylidene)-malononitrile (CAS 13017-52-2), with molecular formula C8H10N2 and molecular weight 134.08 g/mol. IUPAC: 2-(3-methylbutan-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1,2-Dimethyl-propylidene)-malononitrile
Property Insights of 2-(1,2-Dimethyl-propylidene)-malononitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2-Dimethyl-propylidene)-malononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(1,2-Dimethyl-propylidene)-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2-Dimethyl-propylidene)-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 2-(1,2-Dimethyl-propylidene)-malononitrile?
The CAS number of 2-(1,2-Dimethyl-propylidene)-malononitrile is 13017-52-2.
What is the molecular formula of 2-(1,2-Dimethyl-propylidene)-malononitrile?
The molecular formula of 2-(1,2-Dimethyl-propylidene)-malononitrile is C8H10N2.
What is the molecular weight of 2-(1,2-Dimethyl-propylidene)-malononitrile?
The molecular weight of 2-(1,2-Dimethyl-propylidene)-malononitrile is 134.08 g/mol.
Where can I buy 2-(1,2-Dimethyl-propylidene)-malononitrile?
You can request a quote for 2-(1,2-Dimethyl-propylidene)-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2-Dimethyl-propylidene)-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Dimethyl-propylidene)-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.