2-(1-Amino-2-phenoxyethylidene)malononitrile
TL;DR: 2-(1-Amino-2-phenoxyethylidene)malononitrile (CAS 118645-79-7) 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-(1-amino-2-phenoxyethylidene)propanedinitrile
Also Known As: 2-(1-amino-2-phenoxyethylidene)malononitrile, 2-(1-amino-2-phenoxyethylidene)propanedinitrile, aminophenoxyethylidenemalononitrile, (1-Amino-2-phenoxyethylidene)malononitrile, 0637AD
Technical Specifications
| Molecular Formula | C11H9N3O |
| Molecular Weight | 199.07455 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.07455 Da |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C=C1)OCC(=C(C#N)C#N)N |
| InChIKey | JNWQSNNVABDVPK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Amino-2-phenoxyethylidene)malononitrile
Property Insights of 2-(1-Amino-2-phenoxyethylidene)malononitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-2-phenoxyethylidene)malononitrile. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-2-phenoxyethylidene)malononitrile. Following Lipinski's Rule of Five, 2-(1-Amino-2-phenoxyethylidene)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-(1-Amino-2-phenoxyethylidene)malononitrile?
The CAS number of 2-(1-Amino-2-phenoxyethylidene)malononitrile is 118645-79-7.
What is the molecular formula of 2-(1-Amino-2-phenoxyethylidene)malononitrile?
The molecular formula of 2-(1-Amino-2-phenoxyethylidene)malononitrile is C11H9N3O.
What is the molecular weight of 2-(1-Amino-2-phenoxyethylidene)malononitrile?
The molecular weight of 2-(1-Amino-2-phenoxyethylidene)malononitrile is 199.07455 g/mol.
Where can I buy 2-(1-Amino-2-phenoxyethylidene)malononitrile?
You can request a quote for 2-(1-Amino-2-phenoxyethylidene)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Amino-2-phenoxyethylidene)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1-Amino-2-phenoxyethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.