1,3-Dibutyl-7-(4-oxopentyl)-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 1,3-Dibutyl-7-(4-oxopentyl)-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 57076-73-0
• Molecular Formula: C18H28N4O3
• Molecular Weight: 348.44000
• DSSTox Substance ID: DTXSID30604813
• Wikidata: Q82502841

Synonyms:57076-73-0;SCHEMBL11456819;DTXSID30604813;1,3-Dibutyl-7-(4-oxopentyl)-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 1,3-Dibutyl-7-(4-oxopentyl)-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• PSA: 78.89000
• LogP: 2.32910
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 348.21614077
• Heavy Atom Count: 25
• Complexity: 497

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCCC(=O)C

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