Theophylline olamine

Base Information

• Chemical Name: Theophylline olamine
• CAS No.: 573-41-1
• Molecular Formula: C9H15N5O3
• Molecular Weight: 240.23916
• European Community (EC) Number: 209-355-8
• UNII: 9Z1S0O31SL
• DSSTox Substance ID: DTXSID40205916
• Wikidata: Q27273398
• ChEMBL ID: CHEMBL2107084
• Mol file: 573-41-1.mol

Synonyms:theophylline ethanolamine;theophylline olamine

Chemical Property of Theophylline olamine

Chemical Property:

• Vapor Pressure: 1.96E-08mmHg at 25°C
• Melting Point: 255-260 °C
• Boiling Point: 454.1°C at 760 mmHg
• Flash Point: 228.4°C
• PSA: 118.93000
• LogP: -1.40200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 241.11748936
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99%, ^*data from raw suppliers

THEOPHYLLINE OLAMINE 95.00% ^*data from reagent 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(CO)N

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