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 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, 2-(1-amino-2-phenoxy-ethylidene)propanedinitrile
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.32536 |
| Topological Polar Surface Area | 82.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 421.1411 |
Chemical Identifiers
| CAS Number | 118645-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=C(C#N)C#N)N |
Product Overview
2-(1-Amino-2-phenoxyethylidene)malononitrile (CAS 118645-79-7), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 2-(1-amino-2-phenoxyethylidene)propanedinitrile.
Chemical Property Profile of 2-(1-Amino-2-phenoxyethylidene)malononitrile
Property Insights of 2-(1-Amino-2-phenoxyethylidene)malononitrile
The XLogP value of 1.32536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-2-phenoxyethylidene)malononitrile. The TPSA of 82.83 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
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 199.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Amino-2-phenoxyethylidene)malononitrile?
Yes, KEHONG BIO 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.