Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

Base Information

• Chemical Name: Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
• CAS No.: 1239-54-9
• Molecular Formula: C17H21 N5 O2 . Cl H
• Molecular Weight: 363.8419
• DSSTox Substance ID: DTXSID60154139
• Mol file: 1239-54-9.mol

Synonyms:Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride;1239-54-9;beta-PT;7-(2-(Phenethylamino)ethyl)theophylline hydrochloride;7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid [German];DTXSID60154139;7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid

Chemical Property of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

Chemical Property:

• Vapor Pressure: 1.06E-12mmHg at 25°C
• Boiling Point: 563°Cat760mmHg
• Flash Point: 294.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 363.1462027
• Heavy Atom Count: 25
• Complexity: 466

Purity/Quality:

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=CC=C3.Cl