1-(6-Hydroxyhexyl)-3,7-dimethylxanthine

Base Information

• Chemical Name: 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine
• CAS No.: 56395-71-2
• Molecular Formula: C13H20N4O3
• DSSTox Substance ID: DTXSID40432927
• Wikidata: Q82247068

Synonyms:1-(6-hydroxyhexyl)-3,7-dimethylxanthine;56395-71-2;SCHEMBL757112;DTXSID40432927;FQMLNCMGNMEXAL-UHFFFAOYSA-N

Chemical Property of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 280.15354051
• Heavy Atom Count: 20
• Complexity: 377

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO

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