2,5-Piperazinedione, 3-(aminomethylene)-6-phenyl-

Base Information

• Chemical Name: 2,5-Piperazinedione, 3-(aminomethylene)-6-phenyl-
• CAS No.: 65870-51-1
• Molecular Formula: C11H11N3O2
• Molecular Weight: 217.22400
• UNII: MF4QQ48Z62
• Nikkaji Number: J582.930E
• Mol file: 65870-51-1.mol

Synonyms:2,5-Piperazinedione, 3-(aminomethylene)-6-phenyl-;3-(Aminomethylene)-6-phenyl-2,5-piperazinedione;MF4QQ48Z62

Chemical Property of 2,5-Piperazinedione, 3-(aminomethylene)-6-phenyl-

Chemical Property:

• Boiling Point: 569.8±50.0 °C(Predicted)
• PKA: 10.07±0.40(Predicted)
• PSA: 91.20000
• Density: 1.356±0.06 g/cm3(Predicted)
• LogP: 1.02590
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.085126602
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

95% ^*data from raw suppliers

3-(Aminomethylene)-6-phenyl-2,5-piperazinedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=O)NC(=CN)C(=O)N2
• Isomeric SMILES: C1=CC=C(C=C1)C2C(=O)N/C(=C\N)/C(=O)N2
• Uses: 3-(Aminomethylene)-6-phenyl-2,5-piperazinedione, is an impurity of Cefalexin (C256800), a semi-synthetic cephalosporin antibiotic.