8-(3-Aminopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 8-(3-Aminopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 76748-76-0
• Molecular Formula: C10H15N5O2
• DSSTox Substance ID: DTXSID90516549
• Wikidata: Q82378020

Synonyms:76748-76-0;SCHEMBL8595449;8-(3-aminopropyl)-theophylline;DTXSID90516549;DLKVBPCRSZSIKI-UHFFFAOYSA-N;8-(3-Aminopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 237.12257474
• Heavy Atom Count: 17
• Complexity: 335

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)NC(=N2)CCCN

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