8-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

Base Information

• Chemical Name: 8-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
• CAS No.: 7252-38-2
• Molecular Formula: C18H22N8O4
• Molecular Weight: 0
• NSC Number: 23586
• DSSTox Substance ID: DTXSID70281960
• Wikidata: Q82016097
• ChEMBL ID: CHEMBL4583111
• Mol file: 7252-38-2.mol

Synonyms:7252-38-2;NSC23586;8-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3,7-trimethylpurine-2,6-dione;CHEMBL4583111;DTXSID70281960;NSC-23586;A844733;8-(3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione;8-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;8-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propyl]-1,3,7-trimethyl-purine-2,6-dione

Chemical Property of 8-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 1.06E-22mmHg at 25°C
• Boiling Point: 755.3°C at 760 mmHg
• Flash Point: 410.6°C
• PSA: 134.50000
• Density: 1.58g/cm³
• LogP: -1.58030
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 414.17640121
• Heavy Atom Count: 30
• Complexity: 777

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

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