7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride

Base Information

• Chemical Name: 7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride
• CAS No.: 78280-45-2
• Molecular Formula: C18H24ClN5O2
• Molecular Weight: 377.8685
• DSSTox Substance ID: DTXSID10228955

Synonyms:H 814 [German];Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride;78280-45-2;7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride;H 814;DTXSID10228955;LS-149617;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(1-methylethyl)phenylamino]ethyl]-, hydrochloride

Chemical Property of 7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride

Chemical Property:

• Vapor Pressure: 3.28E-12mmHg at 25°C
• Boiling Point: 551.5°C at 760 mmHg
• Flash Point: 287.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 377.1618527
• Heavy Atom Count: 26
• Complexity: 506

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3.Cl

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