8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione

Base Information

• Chemical Name: 8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
• CAS No.: 101071-99-2
• Molecular Formula: C₁₄H₁₃BrN₄O₂
• Molecular Weight: 349.187
• DSSTox Substance ID: DTXSID40350379
• Wikidata: Q82126289
• Mol file: 101071-99-2.mol

Synonyms:101071-99-2;8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione;8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione;Oprea1_291470;Oprea1_584579;DTXSID40350379;AKOS005217590;7-benzylmethyl-8-bromo-3-methylxanthine;SR-01000506603;SR-01000506603-1;F0381-3733

Chemical Property of 8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 348.02219
• Heavy Atom Count: 21
• Complexity: 427

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=CC=C3

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