(E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethoxystyryl)xanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethoxystyryl)xanthine
• CAS No.: 155271-73-1
• Molecular Formula: C19H19 F3 N4 O3
• Molecular Weight: 408.3744
• Wikidata: Q76389461

Synonyms:(E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethoxystyryl)xanthine;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-(trifluoromethoxy)phenyl)ethenyl)-, (E)-;155271-73-1;SCHEMBL7314417;SCHEMBL7314425;C19H19F3N4O3;ZBNCAKGMWICTEQ-MDZDMXLPSA-N;C19-H19-F3-N4-O3;LS-126755

Chemical Property of (E)-1,3-Diethyl-7-methyl-8-(3-trifluoromethoxystyryl)xanthine

Chemical Property:

• Vapor Pressure: 9E-12mmHg at 25°C
• Boiling Point: 541.1°C at 760 mmHg
• Flash Point: 281°C
• Density: 1.35g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 408.14092497
• Heavy Atom Count: 29
• Complexity: 657

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=CC=C3)OC(F)(F)F)C
• Isomeric SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)OC(F)(F)F)C

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