(E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)-7-methylxanthine hemihydrate

Base Information

• Chemical Name: (E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)-7-methylxanthine hemihydrate
• CAS No.: 155272-02-9
• Molecular Formula: C19H21 F N4 O2
• Molecular Weight: 356.394
• Wikidata: Q76389511
• Mol file: 155272-02-9.mol

Synonyms:(E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)-7-methylxanthine hemihydrate;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-7-methyl-,(E)-, hydrate (2:1);155272-02-9;SCHEMBL7314218;SCHEMBL7314225;C19H21FN4O2.1/2H2O;LS-126723;C19-H21-F-N4-O2.1/2H2-O

Chemical Property of (E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)-7-methylxanthine hemihydrate

Chemical Property:

• Vapor Pressure: 5.25E-12mmHg at 25°C
• Boiling Point: 546.7°Cat760mmHg
• Flash Point: 284.4°C
• Density: 1.25g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 356.16485409
• Heavy Atom Count: 26
• Complexity: 584

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