Theophylline isopropanolamine

Base Information

• Chemical Name: Theophylline isopropanolamine
• CAS No.: 5600-19-1
• Molecular Formula: C10H17N5O3
• Molecular Weight: 180.164
• European Community (EC) Number: 227-017-8
• UNII: UBN5I4OP1X
• DSSTox Substance ID: DTXSID30971390
• Wikidata: Q27291002

Synonyms:Theophylline isopropanolamine;UBN5I4OP1X;5600-19-1;UNII-UBN5I4OP1X;SCHEMBL3120783;DTXSID30971390;EINECS 227-017-8;THEOPHYLLINE ISOPROPANOLAMINE [MI];THEOPHYLLINE SALT WITH 1-AMINO-2-PROPANOL;Q27291002;1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--1-aminopropan-2-ol (1/1);3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 1-aminopropan-2-ol (1:1)

Chemical Property of Theophylline isopropanolamine

Chemical Property:

• Vapor Pressure: 1.96E-08mmHg at 25°C
• Boiling Point: 454.1°Cat760mmHg
• Flash Point: 228.4°C
• Density: 1.465g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 255.13313942
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)O.CN1C2=C(C(=O)N(C1=O)C)NC=N2

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