3,7-Dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 3,7-Dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-1H-purine-2,6-dione
• CAS No.: 86257-54-7
• Molecular Formula: C17H28 N4 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID001006679
• Mol file: 86257-54-7.mol

Synonyms:86257-54-7;3,7-Dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-;DTXSID001006679;LS-126773;7-(6,7-Dihydroxyheptyl)-3-ethyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 3,7-Dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 2.05E-15mmHg at 25°C
• Boiling Point: 603.5°C at 760 mmHg
• Flash Point: 318.8°C
• PSA: 102.28000
• Density: 1.28g/cm³
• LogP: 0.70320
• XLogP3: 0.9
• 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:

3,7-DIHYDRO-7-(6,7-DIHYDROXYHEPTYL)-3-ETHYL-1-PROPYL-1H-PURINE-2,6-DIO NE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=O)C2=C(N=CN2CCCCCC(CO)O)N(C1=O)CC

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