4-(Acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate

Base Information

• Chemical Name: 4-(Acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
• CAS No.: 82239-77-8
• Molecular Formula: C23H22N2O4
• Molecular Weight: 390.43178
• European Community (EC) Number: 279-924-3
• DSSTox Substance ID: DTXSID60231651
• Nikkaji Number: J320.382D
• Wikidata: Q83112585
• Mol file: 82239-77-8.mol

Synonyms:4'-acetamidophenyl-2-(5'-4-tolyl-1'-methylpyrrole)acetate;AU 8001;AU-8001

Chemical Property of 4-(Acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate

Chemical Property:

• Vapor Pressure: 1.06E-16mmHg at 25°C
• Boiling Point: 648.4°C at 760 mmHg
• Flash Point: 346°C
• PSA: 80.89000
• Density: 1.18g/cm³
• LogP: 4.32050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 390.15795719
• Heavy Atom Count: 29
• Complexity: 592

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OC3=CC=C(C=C3)NC(=O)C

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