7-Hexyl-3-Methylxanthine

Base Information

• Chemical Name: 7-Hexyl-3-Methylxanthine
• CAS No.: 55242-65-4
• Molecular Formula: C₁₂H₁₈N₄O₂
• Molecular Weight: 250.301
• DSSTox Substance ID: DTXSID401240487

Synonyms:7-Hexyl-3-Methylxanthine;55242-65-4;SCHEMBL10394932;XYNBLDBVMROPEH-UHFFFAOYSA-N;DTXSID401240487;CCG-22614;AKOS001668289;SR-01000111905;SR-01000111905-1;7-Hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione;7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 7-Hexyl-3-Methylxanthine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 250.14297583
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCN1C=NC2=C1C(=O)NC(=O)N2C

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