7-(2-(1,5-Dimethyl-5-hydroxyhexylamino)ethyl)theophylline monohydrochloride

Base Information

• Chemical Name: 7-(2-(1,5-Dimethyl-5-hydroxyhexylamino)ethyl)theophylline monohydrochloride
• CAS No.: 52943-59-6
• Molecular Formula: C17H30ClN5O3
• Molecular Weight: 387.9048
• DSSTox Substance ID: DTXSID90967416
• Mol file: 52943-59-6.mol

Synonyms:7-(2-(1,5-Dimethyl-5-hydroxyhexylamino)ethyl)theophylline monohydrochloride;Theophylline, 7-(2-(1,5-dimethyl-5-hydroxyhexylamino)ethyl)-, monohydrochloride;52943-59-6;C17H29N5O3.ClH;DTXSID90967416;C17-H29-N5-O3.Cl-H;LS-149524;7-{2-[(6-Hydroxy-6-methylheptan-2-yl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)

Chemical Property of 7-(2-(1,5-Dimethyl-5-hydroxyhexylamino)ethyl)theophylline monohydrochloride

Chemical Property:

• Vapor Pressure: 2.76E-13mmHg at 25°C
• Boiling Point: 558°Cat760mmHg
• Flash Point: 291.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 387.2037175
• Heavy Atom Count: 26
• Complexity: 499

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

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