2-(3-Methyl-1-phenylbutylidene)malononitrile
TL;DR: 2-(3-Methyl-1-phenylbutylidene)malononitrile (CAS 13134-12-8) is a chemical compound with molecular formula C14H14N2 and molecular weight 210.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-1-phenylbutylidene)propanedinitrile
Also Known As: alpha-isobutylbenzylidenemalononitrile, 2-(3-Methyl-1-phenylbutylidene)malononitrile, 2-(3-methyl-1-phenylbutylidene)propanedinitrile, 2-(3-methyl-1-phenyl-butylidene)propanedinitrile
Technical Specifications
| Molecular Formula | C14H14N2 |
| Molecular Weight | 210.11569 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.11569 Da |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
| SMILES | CC(C)CC(=C(C#N)C#N)C1=CC=CC=C1 |
| InChIKey | KHRRFSXZJNTQMJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Methyl-1-phenylbutylidene)malononitrile
Property Insights of 2-(3-Methyl-1-phenylbutylidene)malononitrile
The XLogP value of 3.3 indicates that 2-(3-Methyl-1-phenylbutylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(3-Methyl-1-phenylbutylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methyl-1-phenylbutylidene)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
What is the CAS number of 2-(3-Methyl-1-phenylbutylidene)malononitrile?
The CAS number of 2-(3-Methyl-1-phenylbutylidene)malononitrile is 13134-12-8.
What is the molecular formula of 2-(3-Methyl-1-phenylbutylidene)malononitrile?
The molecular formula of 2-(3-Methyl-1-phenylbutylidene)malononitrile is C14H14N2.
What is the molecular weight of 2-(3-Methyl-1-phenylbutylidene)malononitrile?
The molecular weight of 2-(3-Methyl-1-phenylbutylidene)malononitrile is 210.11569 g/mol.
Where can I buy 2-(3-Methyl-1-phenylbutylidene)malononitrile?
You can request a quote for 2-(3-Methyl-1-phenylbutylidene)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Methyl-1-phenylbutylidene)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-Methyl-1-phenylbutylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.