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

Base Information

• Chemical Name: (E)-8-(4-(4-bromobutoxy)styryl)-1,3-diethyl-7-methylxanthine
• CAS No.: 155272-07-4
• Molecular Formula: C22H27 Br N4 O3
• Molecular Weight: 475.3788
• Wikidata: Q76389518
• Mol file: 155272-07-4.mol

Synonyms:(E)-8-(4-(4-bromobutoxy)styryl)-1,3-diethyl-7-methylxanthine;155272-07-4;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(4-bromobutoxy)phenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-;8-[(E)-2-[4-(4-bromobutoxy)phenyl]ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione;C22H27BrN4O3;C22-H27-Br-N4-O3;(E)-8-[4-(4-Bromobutoxy)styryl]-1,3-diethyl-7-methylxanthine;SCHEMBL7308388;SCHEMBL7308394;ZXLWUYGUMUAQQJ-JLHYYAGUSA-N;LS-126581;(E)-8- [4-(4 -Bromobutoxy)styryl ]-1,3-diethyl-7-methylxanthine;(E)-8-(4-(4-Bromobutoxy)styryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione;8-[(1E)-2-[4-(4-bromobutoxy)phenyl]ethenyl]-1,3-diethyl-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Chemical Property:

• Vapor Pressure: 1.98E-17mmHg at 25°C
• Boiling Point: 662.7°Cat760mmHg
• Flash Point: 354.6°C
• PSA: 71.05000
• Density: 1.36g/cm³
• LogP: 3.66080
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 474.12665
• Heavy Atom Count: 30
• Complexity: 624

Purity/Quality:

99%min ^*data from raw suppliers

(E)-8-(4-(4-BROMOBUTOXY)STYRYL)-1,3-DIETHYL-7-METHYLXANTHINE 95.00% ^*data from reagent 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)OCCCCBr)C
• Isomeric SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=C(C=C3)OCCCCBr)C