8-beta-Aminoethyltheophylline

Base Information

• Chemical Name: 8-beta-Aminoethyltheophylline
• CAS No.: 75680-88-5
• Molecular Formula: C9H13N5O2
• DSSTox Substance ID: DTXSID30399813
• Wikidata: Q82202563

Synonyms:75680-88-5;AC1N56UX;8-beta-aminoethyltheophylline;SCHEMBL8664913;DTXSID30399813;QMDSHLSBEFNKAQ-UHFFFAOYSA-N;EN300-26568097;8-(2-aminoethyl)-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione

Chemical Property of 8-beta-Aminoethyltheophylline

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.10692467
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN

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