1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((2-(3,4-dihydroxyphenyl)ethyl)amino)ethyl)-1,3-dimethyl-, hydrochloride

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((2-(3,4-dihydroxyphenyl)ethyl)amino)ethyl)-1,3-dimethyl-, hydrochloride
• CAS No.: 67553-49-5
• Molecular Formula: C17H22ClN5O4
• Molecular Weight: 395.8407
• DSSTox Substance ID: DTXSID30217886

Synonyms:7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((2-(3,4-dihydroxyphenyl)ethyl)amino)ethyl)-1,3-dimethyl-, hydrochloride;67553-49-5;DTXSID30217886;C17-H21-N5-O4.Cl-H;LS-126795

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((2-(3,4-dihydroxyphenyl)ethyl)amino)ethyl)-1,3-dimethyl-, hydrochloride

Chemical Property:

• Vapor Pressure: 2.52E-18mmHg at 25°C
• Boiling Point: 665.6°Cat760mmHg
• Flash Point: 356.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 395.1360319
• Heavy Atom Count: 27
• Complexity: 533

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC(=C(C=C3)O)O.Cl

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