Lysine theophylline

Base Information

• Chemical Name: Lysine theophylline
• CAS No.: 83920-54-1
• Molecular Formula: C13H22N6O4
• Molecular Weight: 326.3516
• European Community (EC) Number: 281-314-7
• UNII: O196W99W6K
• DSSTox Substance ID: DTXSID401004075
• Wikidata: Q27285194

Synonyms:lysine theophylline;theophylline lysine

Chemical Property of Lysine theophylline

Chemical Property:

• Vapor Pressure: 1.96E-08mmHg at 25°C
• Boiling Point: 454.1°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 162.02000
• Density: g/cm³
• LogP: -0.11180
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 326.17025320
• Heavy Atom Count: 23
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CCN)CC(C(=O)O)N
• Isomeric SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CCN)C[C@@H](C(=O)O)N

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