7-(3-(2-(3,4-Dihydroxyphenyl)ethylamino)butyl)theophylline hydrochloride

Base Information

• Chemical Name: 7-(3-(2-(3,4-Dihydroxyphenyl)ethylamino)butyl)theophylline hydrochloride
• CAS No.: 67553-51-9
• Molecular Formula: C19H26ClN5O4
• Molecular Weight: 423.8938
• DSSTox Substance ID: DTXSID30986924
• Mol file: 67553-51-9.mol

Synonyms:7-(3-(2-(3,4-Dihydroxyphenyl)ethylamino)butyl)theophylline hydrochloride;1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)butyl)-1,3-dimethyl-, hydrochloride;67553-51-9;DTXSID30986924;LS-126794;7-(3-{[2-(3,4-Dihydroxyphenyl)ethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)

Chemical Property of 7-(3-(2-(3,4-Dihydroxyphenyl)ethylamino)butyl)theophylline hydrochloride

Chemical Property:

• Vapor Pressure: 1.83E-18mmHg at 25°C
• Boiling Point: 668.2°Cat760mmHg
• Flash Point: 357.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 423.1673320
• Heavy Atom Count: 29
• Complexity: 577

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCCC3=CC(=C(C=C3)O)O.Cl