Theophylline, 7-(2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl)-

Base Information

• Chemical Name: Theophylline, 7-(2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl)-
• CAS No.: 81996-49-8
• Molecular Formula: C19H23ClN6O2
• Molecular Weight: 402.8779
• DSSTox Substance ID: DTXSID40231497
• Nikkaji Number: J23.296C
• Wikidata: Q83112441

Synonyms:Sgd 275 76;Theophylline, 7-(2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl)-;7-(2-(4-(p-Chlorophenyl)-1-piperazinyl)ethyl)theophylline;81996-49-8;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-1,3-dimethyl-;C19H23ClN6O2;SCHEMBL4478721;Sgd-27576;DTXSID40231497;C19-H23-Cl-N6-O2;LS-149455

Chemical Property of Theophylline, 7-(2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl)-

Chemical Property:

• Vapor Pressure: 3.21E-16mmHg at 25°C
• Boiling Point: 638.9°Cat760mmHg
• Flash Point: 340.2°C
• Density: 1.41g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 402.1571017
• Heavy Atom Count: 28
• Complexity: 591

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)N(C=N2)CCN3CCN(CC3)C4=CC=C(C=C4)Cl

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