3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-1H-purine-2,6-dione
• CAS No.: 86257-16-1
• Molecular Formula: C17H28 N4 O4
• Molecular Weight: 352.43
• DSSTox Substance ID: DTXSID101006672
• Mol file: 86257-16-1.mol

Synonyms:86257-16-1;3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-;DTXSID101006672;LS-126787;7-(5,6-DIHYDROXYHEXYL)-3-METHYL-1-PENTYL-PURINE-2,6-DIONE;7-(5,6-Dihydroxyhexyl)-3-methyl-1-pentyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 2.12E-15mmHg at 25°C
• Boiling Point: 603.2°C at 760 mmHg
• Flash Point: 318.6°C
• PSA: 102.28000
• Density: 1.28g/cm³
• LogP: 0.61040
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 352.21105539
• Heavy Atom Count: 25
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C

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