![2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile structure](/static/products/6966/696601-78-2.webp)
2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile
TL;DR: 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile (CAS 696601-78-2) is a chemical compound with molecular formula C13H13N5 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]but-2-enedinitrile
Also Known As: 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile, 2-amino-3-({[4-(dimethylamino)phenyl]methylidene}amino)but-2-enedinitrile, (Z)-2-amino-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2-butenedinitrile, 2-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]but-2-enedinitrile, (2Z)-2-amino-3-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]but-2-enedinitrile
| Molecular Formula | C13H13N5 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.38896 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.1171 |
| Heavy Atoms | 18 |
| Complexity | 552.5298 |
Chemical Identifiers
| CAS Number | 696601-78-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NC(=C(C#N)N)C#N |
Product Overview
2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile (CAS 696601-78-2), with molecular formula C13H13N5 and molecular weight 239.12 g/mol. IUPAC: 2-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]but-2-enedinitrile.
Chemical Property Profile of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile
Property Insights of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile
The XLogP value of 1.38896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile. Following Lipinski's Rule of Five, 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile 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
Frequently Asked Questions
What is the CAS number of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile?
The CAS number of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile is 696601-78-2.
What is the molecular formula of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile?
The molecular formula of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile is C13H13N5.
What is the molecular weight of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile?
The molecular weight of 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile is 239.12 g/mol.
Where can I buy 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile?
You can request a quote for 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3-[(4-dimethylaminophenyl)methylideneamino]but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.