(E)-8-(4-Carboxymethoxystyryl)-1,3-diethyl-7-methylxanthine

Base Information

• Chemical Name: (E)-8-(4-Carboxymethoxystyryl)-1,3-diethyl-7-methylxanthine
• CAS No.: 155272-11-0
• Molecular Formula: C20H22 N4 O5
• Molecular Weight: 398.4125
• Wikidata: Q76389524
• Mol file: 155272-11-0.mol

Synonyms:(E)-8-(4-Carboxymethoxystyryl)-1,3-diethyl-7-methylxanthine;155272-11-0;Acetic acid, (4-(2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl)phenoxy)-, (E)-;2-[4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)ethenyl]phenoxy]acetic acid;SCHEMBL7314850;SCHEMBL7314862;PZBWAXQUXKXWMA-DHZHZOJOSA-N;(E)-2-(4-(2-(1,3-Diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl)phenoxy)acetic acid;2-{4-[(1E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}acetic acid

Chemical Property of (E)-8-(4-Carboxymethoxystyryl)-1,3-diethyl-7-methylxanthine

Chemical Property:

• Vapor Pressure: 7.73E-19mmHg at 25°C
• Boiling Point: 669.5°C at 760 mmHg
• Flash Point: 358.7°C
• Density: 1.33g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 398.15901982
• Heavy Atom Count: 29
• Complexity: 661

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