4-amino-5-benzoyl-2-methyl-1-phenyl-1H-pyrrole-3-carbonitrile

Base Information

• Chemical Name: 4-amino-5-benzoyl-2-methyl-1-phenyl-1H-pyrrole-3-carbonitrile
• CAS No.: 5219-76-1
• Molecular Formula: C12H19 N3 O3 S2
• Molecular Weight: 301.3419
• DSSTox Substance ID: DTXSID50966566
• Wikidata: Q82948977
• Mol file: 5219-76-1.mol

Synonyms:4-amino-5-benzoyl-2-methyl-1-phenyl-1H-pyrrole-3-carbonitrile;5219-76-1;4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile;CBMicro_006651;ChemDiv2_000592;Oprea1_400042;DTXSID50966566;HMS1370K20;SMSF0004705;CB08943;CCG-107052;BIM-0006419.P001;UNM000003530001;AH-262/36085026;SR-01000437710;SR-01000437710-1

Chemical Property of 4-amino-5-benzoyl-2-methyl-1-phenyl-1H-pyrrole-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.14E-12mmHg at 25°C
• Boiling Point: 562.3°C at 760 mmHg
• Flash Point: 293.8°C
• Density: 1.18g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.121512110
• Heavy Atom Count: 23
• Complexity: 470

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N)C#N