4-(Hydroxymethyl)-4-methyl-1-(4-methylphenyl)pyrazolidin-3-one

Base Information

• Chemical Name: 4-(Hydroxymethyl)-4-methyl-1-(4-methylphenyl)pyrazolidin-3-one
• CAS No.: 76444-94-5
• Molecular Formula: C12H16 N2 O2
• Molecular Weight: 220.26764
• European Community (EC) Number: 278-468-2
• DSSTox Substance ID: DTXSID90997834
• Nikkaji Number: J39.387H
• Mol file: 76444-94-5.mol

Synonyms:76444-94-5;4-(hydroxymethyl)-4-methyl-1-(4-methylphenyl)pyrazolidin-3-one;EINECS 278-468-2;4,5-Dihydro-3-hydroxy-4-methyl-1-(p-tolyl)pyrazole-4-methanol;4-(Hydroxymethyl)-4-methyl-1-(p-tolyl)pyrazolidin-3-one;SCHEMBL3134411;DTXSID90997834;4-Hydroxymethyl-4-methyl-1-(p-tolyl)pyrazolidin-3-one;3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-(4-methylphenyl)-;4-(Hydroxymethyl)-4-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-ol

Chemical Property of 4-(Hydroxymethyl)-4-methyl-1-(4-methylphenyl)pyrazolidin-3-one

Chemical Property:

• PSA: 56.06000
• Density: 1.16g/cm³
• LogP: 1.18570
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CC(C(=O)N2)(C)CO

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