Theophylline, 7-(2-((3,4-dimethoxyphenethyl)methylamino)ethyl)-, monohydrochloride

Base Information

• Chemical Name: Theophylline, 7-(2-((3,4-dimethoxyphenethyl)methylamino)ethyl)-, monohydrochloride
• CAS No.: 52986-17-1
• Molecular Formula: C20H28ClN5O4
• Molecular Weight: 437.9204
• DSSTox Substance ID: DTXSID10201021

Synonyms:7-(2-((3,4-Dimethoxyphenethyl)methylamino)ethyl)theophylline monohydrochloride;Theophylline, 7-(2-((3,4-dimethoxyphenethyl)methylamino)ethyl)-, monohydrochloride;52986-17-1;C20H27N5O4.ClH;DTXSID10201021;C20-H27-N5-O4.Cl-H;LS-149514

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

Chemical Property:

• Vapor Pressure: 3.26E-14mmHg at 25°C
• Boiling Point: 596.9°C at 760 mmHg
• Flash Point: 314.8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 437.1829821
• Heavy Atom Count: 30
• Complexity: 591

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC(=C(C=C3)OC)OC.Cl

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