(E)-1,3-Diethyl-8-(alpha-fluorostyryl)-7-methylxanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-8-(alpha-fluorostyryl)-7-methylxanthine
• CAS No.: 155271-69-5
• Molecular Formula: C18H19 F N4 O2
• Molecular Weight: 342.3675
• Wikidata: Q76389454
• Mol file: 155271-69-5.mol

Synonyms:(E)-1,3-Diethyl-8-(alpha-fluorostyryl)-7-methylxanthine;(E)-1,3-Diethyl-8-(1-fluoro-2-phenylethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(1-fluoro-2-phenylethenyl)-7-methyl-, (E)-;155271-69-5;SCHEMBL7305581;LS-126728

Chemical Property of (E)-1,3-Diethyl-8-(alpha-fluorostyryl)-7-methylxanthine

Chemical Property:

• Vapor Pressure: 4.35E-11mmHg at 25°C
• Boiling Point: 524.3°C at 760 mmHg
• Flash Point: 270.9°C
• Density: 1.27g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 342.14920402
• Heavy Atom Count: 25
• Complexity: 561

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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