Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride

Base Information

• Chemical Name: Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride
• CAS No.: 52986-16-0
• Molecular Formula: C19H26ClN5O4
• Molecular Weight: 423.8938
• DSSTox Substance ID: DTXSID50201020
• Mol file: 52986-16-0.mol

Synonyms:7-(2-(3,4-Dimethoxyphenethylamino)ethyl)theophylline monohydrochloride;Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride;52986-16-0;C19H25N5O4.ClH;DTXSID50201020;LS-149512

Chemical Property of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride

Chemical Property:

• Vapor Pressure: 1.07E-14mmHg at 25°C
• Boiling Point: 607.4°Cat760mmHg
• Flash Point: 321.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 423.1673320
• Heavy Atom Count: 29
• Complexity: 562

Purity/Quality:

99% ^*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)OC)OC.Cl