1,3-Dimethyl-7-(3-oxobutyl)xanthine

Base Information

• Chemical Name: 1,3-Dimethyl-7-(3-oxobutyl)xanthine
• CAS No.: 10226-65-0
• Molecular Formula: C₁₁H₁₄N₄O₃
• Molecular Weight: 250.257
• DSSTox Substance ID: DTXSID101190558
• Nikkaji Number: J1.142.825H
• ChEMBL ID: CHEMBL86048
• Mol file: 10226-65-0.mol

Synonyms:10226-65-0;CHEMBL86048;SCHEMBL10967382;DTXSID101190558;1,3-Dimethyl-7-(3-oxobutyl)xanthine;3,7-Dihydro-1,3-dimethyl-7-(3-oxobutyl)-1H-purine-2,6-dione

Chemical Property of 1,3-Dimethyl-7-(3-oxobutyl)xanthine

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 250.10659032
• Heavy Atom Count: 18
• Complexity: 398

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

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