(((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 91559-93-2) is a chemical compound with molecular formula C12H12N4 and molecular weight 212.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(dimethylamino)anilino]methylidene]propanedinitrile
Also Known As: (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile, 2-(((4-(Dimethylamino)phenyl)amino)methylene)malononitrile, 2-({[4-(dimethylamino)phenyl]amino}methylidene)propanedinitrile, 2-[[4-(dimethylamino)anilino]methylidene]propanedinitrile, 2-{[4-(dimethylamino)anilino]methylene}malononitrile
| Molecular Formula | C12H12N4 |
|---|---|
| Molecular Weight | 212.11 g/mol |
| LogP | 2.09556 |
| Topological Polar Surface Area | 62.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.1062 |
| Heavy Atoms | 16 |
| Complexity | 441.2775 |
Chemical Identifiers
| CAS Number | 91559-93-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC=C(C#N)C#N |
Product Overview
(((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 91559-93-2), with molecular formula C12H12N4 and molecular weight 212.11 g/mol. IUPAC: 2-[[4-(dimethylamino)anilino]methylidene]propanedinitrile.
Chemical Property Profile of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 2.09556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile. The TPSA of 62.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile 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 (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile is 91559-93-2.
What is the molecular formula of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile is C12H12N4.
What is the molecular weight of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile is 212.11 g/mol.
Where can I buy (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((4-(Dimethylamino)phenyl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.