5-Ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid

Base Information

• Chemical Name: 5-Ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid
• CAS No.: 95046-31-4
• Molecular Formula: C12H20N2O3
• Molecular Weight: 240.2988
• European Community (EC) Number: 305-818-4
• DSSTox Substance ID: DTXSID00915140
• Nikkaji Number: J326.321E
• Mol file: 95046-31-4.mol

Synonyms:95046-31-4;EINECS 305-818-4;5-Ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid;DTXSID00915140;5-Ethyl-4,6-dihydroxy-5-(2-methylpentan-3-yl)pyrimidin-2(5H)-one;5-Ethyl-5-(1-ethyl-2-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Chemical Property of 5-Ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.25000
• Density: 1.063g/cm³
• LogP: 1.98280
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.14739250
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C)C)C1(C(=O)NC(=O)NC1=O)CC

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