Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride

Base Information

• Chemical Name: Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride
• CAS No.: 63906-64-9
• Molecular Formula: C20H26 N6 O3 . Cl H
• Molecular Weight: 431.95
• DSSTox Substance ID: DTXSID90980943
• Mol file: 63906-64-9.mol

Synonyms:Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride;63906-64-9;C20H23N6O3.ClH;DTXSID90980943;C20-H23-N6-O3.Cl-H;LS-149427;1H-Purine-2,6-dione, 7-[2-amino-1-(4-morpholinyl)ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, monohydrochloride;7-[2-Amino-1-(morpholin-4-yl)ethyl]-8-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)

Chemical Property of Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride

Chemical Property:

• Vapor Pressure: 1.01E-15mmHg at 25°C
• Boiling Point: 628.8°Cat760mmHg
• Flash Point: 334.1°C
• PSA: 100.31000
• Density: g/cm³
• LogP: 1.25420
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 434.1833164
• Heavy Atom Count: 30
• Complexity: 607

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)CC3=CC=CC=C3)C(CN)N4CCOCC4.Cl