[2-(3-Fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate

Base Information

• Chemical Name: [2-(3-Fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate
• CAS No.: 5684-63-9
• Molecular Formula: C28H29FN4O4
• Molecular Weight: 504.5527
• DSSTox Substance ID: DTXSID20411472

Synonyms:5684-63-9;AC1NQPGX;DTXSID20411472

Chemical Property of [2-(3-Fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate

Chemical Property:

• Vapor Pressure: 2.65E-19mmHg at 25°C
• Boiling Point: 677.9°Cat760mmHg
• Flash Point: 363.8°C
• Density: 1.33g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 504.21728358
• Heavy Atom Count: 37
• Complexity: 857

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC(=CC=C5)F)[O-]

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