4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

Base Information

• Chemical Name: 4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
• CAS No.: 84803-48-5
• Molecular Formula: C20H22N2O4
• Molecular Weight: 354.3997
• European Community (EC) Number: 284-174-5
• DSSTox Substance ID: DTXSID501005088
• Nikkaji Number: J309.450B
• Mol file: 84803-48-5.mol

Synonyms:4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;84803-48-5;EINECS 284-174-5;DTXSID501005088;4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione

Chemical Property of 4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione

Chemical Property:

• Vapor Pressure: 3.43E-12mmHg at 25°C
• Boiling Point: 533°Cat760mmHg
• PKA: 10.03±0.30(Predicted)
• Flash Point: 276.2°C
• PSA: 81.08000
• Density: 1.273g/cm³
• LogP: 2.98590
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 354.15795719
• Heavy Atom Count: 26
• Complexity: 512

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3)CO

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