(E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine

Base Information

• Chemical Name: (E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine
• CAS No.: 155271-85-5
• Molecular Formula: C18H19 Br N4 O2
• Molecular Weight: 403.2731
• Wikidata: Q76389482
• Mol file: 155271-85-5.mol

Synonyms:(E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine;155271-85-5;(E)-8-(2-(3-Bromophenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-;SCHEMBL7282856;SCHEMBL7282865;JJUJLNZUNIJSHZ-MDZDMXLPSA-N;BDBM110148;LS-126605;(E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine (6d)

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

Chemical Property:

• Vapor Pressure: 1.15E-13mmHg at 25°C
• Boiling Point: 584.9°Cat760mmHg
• Flash Point: 307.5°C
• Density: 1.44g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 402.06914
• Heavy Atom Count: 25
• Complexity: 555

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

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