1,3,7-Trimethyl-8-(trichloromethyl)-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 1,3,7-Trimethyl-8-(trichloromethyl)-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 94339-63-6
• Molecular Formula: C9H9Cl3N4O2
• Molecular Weight: 311.555
• DSSTox Substance ID: DTXSID50558127
• Wikidata: Q82440297

Synonyms:94339-63-6;TWNSCSKRVKTOJQ-UHFFFAOYSA-;DTXSID50558127;1,3,7-Trimethyl-8-(trichloromethyl)-3,7-dihydro-1H-purine-2,6-dione;InChI=1/C9H9Cl3N4O2/c1-14-4-5(13-7(14)9(10,11)12)15(2)8(18)16(3)6(4)17/h1-3H3

Chemical Property of 1,3,7-Trimethyl-8-(trichloromethyl)-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 309.979109
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(N=C1C(Cl)(Cl)Cl)N(C(=O)N(C2=O)C)C

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