![2-[(4-Methoxyphenylamino)methylene]malononitrile structure](/static/products/2102/21025-61-6.webp)
2-[(4-Methoxyphenylamino)methylene]malononitrile
TL;DR: 2-[(4-Methoxyphenylamino)methylene]malononitrile (CAS 21025-61-6) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyanilino)methylidene]propanedinitrile
Also Known As: ZERO/003145, 2-[(4-Methoxyphenylamino)methylene]malononitrile, 2-[(4-methoxyanilino)methylidene]propanedinitrile, J1.457.574J, alpha-Cyano-beta-(p-methoxy-anilino)-acrylonitril
Technical Specifications
| Molecular Formula | C11H9N3O |
| Molecular Weight | 199.07455 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.07455 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | COC1=CC=C(C=C1)NC=C(C#N)C#N |
| InChIKey | YLVIDHJDOIMZAC-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Methoxyphenylamino)methylene]malononitrile
Property Insights of 2-[(4-Methoxyphenylamino)methylene]malononitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxyphenylamino)methylene]malononitrile. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxyphenylamino)methylene]malononitrile. Following Lipinski's Rule of Five, 2-[(4-Methoxyphenylamino)methylene]malononitrile has 1 hydrogen bond donor(s) and 4 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-[(4-Methoxyphenylamino)methylene]malononitrile?
The CAS number of 2-[(4-Methoxyphenylamino)methylene]malononitrile is 21025-61-6.
What is the molecular formula of 2-[(4-Methoxyphenylamino)methylene]malononitrile?
The molecular formula of 2-[(4-Methoxyphenylamino)methylene]malononitrile is C11H9N3O.
What is the molecular weight of 2-[(4-Methoxyphenylamino)methylene]malononitrile?
The molecular weight of 2-[(4-Methoxyphenylamino)methylene]malononitrile is 199.07455 g/mol.
Where can I buy 2-[(4-Methoxyphenylamino)methylene]malononitrile?
You can request a quote for 2-[(4-Methoxyphenylamino)methylene]malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Methoxyphenylamino)methylene]malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Methoxyphenylamino)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.