![2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile structure](/static/products/1164/1164507-45-2.webp)
2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile
TL;DR: 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile (CAS 1164507-45-2) is a chemical compound with molecular formula C15H16N4 and molecular weight 252.1375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(dimethylamino)-3-(3-methylanilino)prop-2-enylidene]propanedinitrile
Also Known As: 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile, 2-[1-(dimethylamino)-3-[(3-methylphenyl)amino]prop-2-en-1-ylidene]propanedinitrile, 2-[1-(dimethylamino)-3-(3-methylanilino)prop-2-enylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C15H16N4 |
| Molecular Weight | 252.1375 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.1375 Da |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
| SMILES | CC1=CC(=CC=C1)NC=CC(=C(C#N)C#N)N(C)C |
| InChIKey | NIFAOQFRVCSSLJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile
Property Insights of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile. Following Lipinski's Rule of Five, 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]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-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile?
The CAS number of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile is 1164507-45-2.
What is the molecular formula of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile?
The molecular formula of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile is C15H16N4.
What is the molecular weight of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile?
The molecular weight of 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile is 252.1375 g/mol.
Where can I buy 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile?
You can request a quote for 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-[1-(dimethylamino)-3-(3-toluidino)-2-propenylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.