(E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine

Base Information

• Chemical Name: (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine
• CAS No.: 155814-31-6
• Molecular Formula: C19H20 N4 O4
• Molecular Weight: 368.3865
• Wikidata: Q76389538
• Mol file: 155814-31-6.mol

Synonyms:(E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine;155814-31-6;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-,(E)-;(E)-8-[2-(1,4-Benzodioxan-6-yl)vinyl]-1,3-diethylxanthine;SCHEMBL7306398;SCHEMBL7306409;JVLUIKOGPDMCBU-SOFGYWHQSA-N;LS-126693

Chemical Property of (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine

Chemical Property:

• Vapor Pressure: 2.09E-15mmHg at 25°C
• Boiling Point: 622.3°Cat760mmHg
• Flash Point: 330.1°C
• Density: 1.363g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 368.14845513
• Heavy Atom Count: 27
• Complexity: 613

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)NC(=N2)C=CC3=CC4=C(C=C3)OCCO4
• Isomeric SMILES: CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC4=C(C=C3)OCCO4