2-(1-(4-Aminophenyl)ethylidene)propanedinitrile
TL;DR: 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile (CAS 122520-80-3) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-aminophenyl)ethylidene]propanedinitrile
Also Known As: 2-[1-(4-aminophenyl)ethylidene]propanedinitrile, benzylidenemalononitrile (BMN) deriv. 37, (alpha-Methyl-4-aminobenzylidene)malononitrile, [1-(4-Aminophenyl)ethylidene]propanedinitrile, 2-[1-(4-Aminophenyl)ethylidene]malononitrile
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 2.08946 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 424.90637 |
Chemical Identifiers
| CAS Number | 122520-80-3 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC=C(C=C1)N |
Product Overview
2-(1-(4-Aminophenyl)ethylidene)propanedinitrile (CAS 122520-80-3), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 2-[1-(4-aminophenyl)ethylidene]propanedinitrile.
Chemical Property Profile of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile
Property Insights of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile
The XLogP value of 2.08946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile has 1 hydrogen bond donor(s) and 3 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-(4-Aminophenyl)ethylidene)propanedinitrile?
The CAS number of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile is 122520-80-3.
What is the molecular formula of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile?
The molecular formula of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile is C11H9N3.
What is the molecular weight of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile?
The molecular weight of 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile is 183.08 g/mol.
Where can I buy 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile?
You can request a quote for 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-Aminophenyl)ethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.