(E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine
• CAS No.: 155271-66-2
• Molecular Formula: C18H17 F3 N4 O2
• Molecular Weight: 378.3484
• Wikidata: Q76389449
• Mol file: 155271-66-2.mol

Synonyms:(E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine;(E)-1,3-Diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-, (E)-;155271-66-2;SCHEMBL7306207;SCHEMBL7306221;LS-126765

Chemical Property of (E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine

Chemical Property:

• Vapor Pressure: 4.97E-12mmHg at 25°C
• Boiling Point: 547.2°Cat760mmHg
• Flash Point: 284.8°C
• Density: 1.376g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 378.13036028
• Heavy Atom Count: 27
• Complexity: 602

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

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