1-Ethyl-3-isobutyl-1H-purine-2,6(3H,7H)-dione

Base Information

• Chemical Name: 1-Ethyl-3-isobutyl-1H-purine-2,6(3H,7H)-dione
• CAS No.: 96654-24-9
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.274
• European Community (EC) Number: 667-715-3

Synonyms:96654-24-9;1-Ethyl-3-isobutyl-1H-purine-2,6(3H,7H)-dione;3-isobutyl-ethylxanthine;SCHEMBL5405285;AKOS024338354;1-ethyl-3-isobutyl-3,9-dihydro-1H-purine-2,6-dione;1-ethyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Chemical Property of 1-Ethyl-3-isobutyl-1H-purine-2,6(3H,7H)-dione

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.12732577
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)C2=C(N=CN2)N(C1=O)CC(C)C

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