3,7-Dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 3,7-Dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-1H-purine-2,6-dione
• CAS No.: 80020-19-5
• Molecular Formula: C12H15BrN4O4
• Molecular Weight: 359.1759
• DSSTox Substance ID: DTXSID601000912

Synonyms:2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane;80020-19-5;3,7-Dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-;C12H15BrN4O4;DTXSID601000912;C12-H15-Br-N4-O4;LS-126600;7-{[2-(Bromomethyl)-1,3-dioxolan-4-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 3,7-Dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 1.58E-12mmHg at 25°C
• Boiling Point: 559°C at 760 mmHg
• Flash Point: 291.8°C
• Density: 1.83g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 358.02767
• Heavy Atom Count: 21
• Complexity: 451

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COC(O3)CBr

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