(3E)-3-[amino(4-methylpiperazin-1-yl)methylidene]prop-1-ene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: (3E)-3-[amino(4-methylpiperazin-1-yl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
• CAS No.: 154124-60-4
• Molecular Formula: C12H14N6
• Molecular Weight: 242.28
• Mol file: 154124-60-4.mol

Synonyms:154124-60-4;(3E)-3-[amino(4-methylpiperazin-1-yl)methylidene]prop-1-ene-1,1,3-tricarbonitrile;(3E)-4-amino-4-(4-methylpiperazin-1-yl)buta-1,3-diene-1,1,3-tricarbonitrile;4-amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile;AKOS005097497;6H-951;(E)-4-amino-4-(4-methylpiperazin-1-yl)buta-1,3-diene-1,1,3-tricarbonitrile

Chemical Property of (3E)-3-[amino(4-methylpiperazin-1-yl)methylidene]prop-1-ene-1,1,3-tricarbonitrile

Chemical Property:

• PKA: 6.41±0.42(Predicted)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 242.12799447
• Heavy Atom Count: 18
• Complexity: 503

Purity/Quality:

95%-98% ^*data from raw suppliers

4-Amino-4-(4-methylpiperazino)-1,3-butadiene-1,1,3-tricarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=C(C=C(C#N)C#N)C#N)N
• Isomeric SMILES: CN1CCN(CC1)/C(=C(\C=C(C#N)C#N)/C#N)/N