(E)-1,3-Diethyl-8-(alpha-fluorostyryl)xanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-8-(alpha-fluorostyryl)xanthine
• CAS No.: 155271-68-4
• Molecular Formula: C17H17 F N4 O2
• Molecular Weight: 328.3409
• Wikidata: Q76389453
• Mol file: 155271-68-4.mol

Synonyms:(E)-1,3-Diethyl-8-(alpha-fluorostyryl)xanthine;(E)-1,3-Diethyl-8-(1-fluoro-2-phenylethenyl)-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(1-fluoro-2-phenylethenyl)-, (E)-;155271-68-4;LS-126724

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

Chemical Property:

• Vapor Pressure: 1.5E-11mmHg at 25°C
• Boiling Point: 535.7°C at 760 mmHg
• Flash Point: 277.8°C
• Density: 1.312g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 328.13355396
• Heavy Atom Count: 24
• Complexity: 533

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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