(E)-1,3-Diethyl-7-methyl-8-(4-trifluoromethylstyryl)xanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-7-methyl-8-(4-trifluoromethylstyryl)xanthine
• CAS No.: 155271-67-3
• Molecular Formula: C19H19 F3 N4 O2
• Molecular Weight: 392.375
• Wikidata: Q76389451
• Mol file: 155271-67-3.mol

Synonyms:(E)-1,3-Diethyl-7-methyl-8-(4-trifluoromethylstyryl)xanthine;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-,(E)-;155271-67-3;SCHEMBL7309844;SCHEMBL7309849;AZHRXYXTOVFJRW-DHZHZOJOSA-N;LS-126757

Chemical Property of (E)-1,3-Diethyl-7-methyl-8-(4-trifluoromethylstyryl)xanthine

Chemical Property:

• Vapor Pressure: 1.27E-11mmHg at 25°C
• Boiling Point: 537.4°C at 760 mmHg
• Flash Point: 278.8°C
• Density: 1.32g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 392.14601035
• Heavy Atom Count: 28
• Complexity: 631

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