Theophylline, 7,7'-trimethylenebis(8-(bis(2-hydroxyethyl)amino)-

Base Information

• Chemical Name: Theophylline, 7,7'-trimethylenebis(8-(bis(2-hydroxyethyl)amino)-
• CAS No.: 63978-60-9
• Molecular Formula: C25H38 N10 O8
• Molecular Weight: 606.63
• DSSTox Substance ID: DTXSID80213818
• Nikkaji Number: J130.112H
• Wikidata: Q83089423

Synonyms:63978-60-9;BRN 1068155;Theophylline, 7,7'-trimethylenebis(8-(bis(2-hydroxyethyl)amino)-;7,7'-Trimethylenebis(8-(bis(2-hydroxyethyl)amino)theophylline);DTXSID80213818;C25H38N10O8;C25-H38-N10-O8;LS-149680;7,7'-Trimethylenebis[8-[bis(2-hydroxyethyl)amino]theophyline];1H-Purine-2,6-dione, 7,7'-(1,3-propanediyl)bis[8-[bis(2-hydroxyethyl)amino]-3,7-dihydro-1,3-dimethyl-;7,7'-Trimethylenebis[1,3-dimethyl-8-[bis(2-hydroxyethyl)amino]-1H-purine-2,6(3H,7H)-dione]

Chemical Property of Theophylline, 7,7'-trimethylenebis(8-(bis(2-hydroxyethyl)amino)-

Chemical Property:

• Boiling Point: 900.5oC at 760 mmHg
• Flash Point: 498.4oC
• PSA: 211.04000
• Density: 1.55g/cm3
• LogP: -4.14690
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 606.28740821
• Heavy Atom Count: 43
• Complexity: 950

Purity/Quality:

7,7'-TRIMETHYLENEBIS-(8-(BIS-(2-HYDROXYETHYL)AMINO)THEOPHYLLINE 95.00% ^*data from reagent suppliers

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)N(C(=N2)N(CCO)CCO)CCCN3C4=C(N=C3N(CCO)CCO)N(C(=O)N(C4=O)C)C

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