2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide

Base Information

• Chemical Name: 2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide
• CAS No.: 76199-85-4
• Molecular Formula: C16H11N5O4
• Molecular Weight: 337.29
• European Community (EC) Number: 278-388-8
• UNII: 7CF7E3AUE4
• Nikkaji Number: J120.422J,J2.958.308K
• Mol file: 76199-85-4.mol

Synonyms:76199-85-4;2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide;EINECS 278-388-8;7CF7E3AUE4;EC 278-388-8;Acetamide, 2-cyano-2-(2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene)-N-methyl-;Acetamide, 2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methyl-;2-Cyano-2-(2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene)-N-methylacetamide;Enceprint Yellow 1155;UNII-7CF7E3AUE4;Paliotol Yellow D 1150;Paliotol Yellow S 1155;(2Z)-2-cyano-N-methyl-2-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)isoindol-1-ylidene]acetamide;C16H11N5O4;PY185;C16-H11-N5-O4;W-111517;Acetamide, 2-cyano-2-[2,3-dihydro-3- (tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H -isoindol-1-ylidene]-N-methyl-;N-Methyl-2-[(1Z)-3-(2,4,6-trioxohexahydropyrimidine-5-ylidene)-1,3-dihydro-2H-isoindole-1-ylidene]-2-cyanoacetamide

Chemical Property of 2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide

Chemical Property:

• Appearance/Colour: Greenish yellow fine powder
• Refractive Index: 1.655
• PKA: 5.71±0.20(Predicted)
• PSA: 143.95000
• Density: 1.511 g/cm³
• LogP: -0.84662
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 337.08110385
• Heavy Atom Count: 25
• Complexity: 814

Purity/Quality:

99.9% ^*data from raw suppliers

2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C(=C1C2=CC=CC=C2C(=N1)C3=C(NC(=O)NC3=O)O)C#N
• Isomeric SMILES: CNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)C3=C(NC(=O)NC3=O)O)/C#N