Desbutal

Base Information

• Chemical Name: Desbutal
• CAS No.: 8028-71-5
• Molecular Formula: C21H34ClN3O3
• Molecular Weight: 411.96596
• DSSTox Substance ID: DTXSID801001142
• Wikipedia: Desbutal
• Wikidata: Q5263670
• Mol file: 8028-71-5.mol

Synonyms:Desbutal;8028-71-5;DTXSID801001142;C11H18N2O3.C10H15N.ClH;C11-H18-N2-O3.C10-H15-N.Cl-H;Q5263670;5-Ethyl-4,6-dihydroxy-5-(pentan-2-yl)pyrimidin-2(5H)-one--N-methyl-1-phenylpropan-2-amine--hydrogen chloride (1/1/1)

Chemical Property of Desbutal

Chemical Property:

• PSA: 94.28000
• LogP: 4.76670
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 411.2288696
• Heavy Atom Count: 28
• Complexity: 400

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

DESBUTAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.CC(CC1=CC=CC=C1)NC.Cl

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