2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile (CAS 112556-64-6) is a chemical compound with molecular formula C9H9N5 and molecular weight 187.0858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-2-amino-4-(dimethylamino)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: (3Z)-2-amino-3-[(dimethylamino)methylidene]prop-1-ene-1,1,3-tricarbonitrile, J1.244.903H, 2-amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile, 10E-044, (3Z)-2-amino-4-(dimethylamino)buta-1,3-diene-1,1,3-tricarbonitrile
Technical Specifications
| Molecular Formula | C9H9N5 |
| Molecular Weight | 187.0858 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.0858 Da |
| Heavy Atoms | 14 |
| Complexity | 408.0 |
| SMILES | CN(C)/C=C(\C#N)/C(=C(C#N)C#N)N |
| InChIKey | RERURPZPVDXIKF-SOFGYWHQSA-N |
Chemical Property Profile of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile
The XLogP value of -0.5 indicates that 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile is 112556-64-6.
What is the molecular formula of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile is C9H9N5.
What is the molecular weight of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile is 187.0858 g/mol.
Where can I buy 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.