Theophylline, 8-butyl-, hydrochloride

Base Information

• Chemical Name: Theophylline, 8-butyl-, hydrochloride
• CAS No.: 74039-65-9
• Molecular Formula: C11H16 N4 O2 . x Cl H
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90224935
• Mol file: 74039-65-9.mol

Synonyms:Theophylline, 8-butyl-, hydrochloride;8-Butyltheophylline hydrochloride;74039-65-9;Theophylline,8-butyl-,hydrochloride;DTXSID90224935;LS-149433;1H-Purine-2,6-dione, 8-butyl-3,7-dihydro-1,3-dimethyl-, hydrochloride

Chemical Property of Theophylline, 8-butyl-, hydrochloride

Chemical Property:

• Vapor Pressure: 5.92E-09mmHg at 25°C
• Boiling Point: 468.6°C at 760 mmHg
• Flash Point: 237.2°C
• PSA: 72.68000
• LogP: 1.10490
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 272.1040035
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

8-BUTYL-THEOPHYLLINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C.Cl

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