7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline

Base Information

• Chemical Name: 7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline
• CAS No.: 314-92-1
• Molecular Formula: C20H27 N5 O3
• Molecular Weight: 385.4601
• DSSTox Substance ID: DTXSID50953436
• Nikkaji Number: J41.842K
• Mol file: 314-92-1.mol

Synonyms:314-92-1;7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline;Theophylline, 7-(2-diethylaminoethyl)-8-(alpha-hydroxybenzyl)-;Benzyl alcohol, alpha-(1,2,3,6-tetrahydro-7-(2-diethylaminoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl)-;7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline;7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;DTXSID50953436;LS-43145;7-[2-(Diethylamino)ethyl]-8-(hydroxyphenylmethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

Chemical Property of 7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline

Chemical Property:

• Vapor Pressure: 5.94E-15mmHg at 25°C
• Boiling Point: 593.9°Cat760mmHg
• Flash Point: 313°C
• Density: 1.26g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 385.21138974
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C