1-(Methoxyethyl) theobromine

Base Information

• Chemical Name: 1-(Methoxyethyl) theobromine
• CAS No.: 63906-61-6
• Molecular Formula: C10H14 N4 O3
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID00213577
• Nikkaji Number: J130.157H
• Wikidata: Q83089042
• Mol file: 63906-61-6.mol

Synonyms:1-(Methoxyethyl) theobromine;Theobromine, 1-(2'-methoxyethyl)-;63906-61-6;DTXSID00213577;1-(2'-METHOXYETHYL)THEOBROMINE;LS-149379;1H-Purine-2,6-dione, 3,7-dihydro-1-(2-methoxyethyl)-3,7-dimethyl-

Chemical Property of 1-(Methoxyethyl) theobromine

Chemical Property:

• Vapor Pressure: 2.64E-08mmHg at 25°C
• Boiling Point: 450.4°C at 760 mmHg
• Flash Point: 226.2°C
• PSA: 71.05000
• Density: 1.38g/cm³
• LogP: -0.91990
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.10659032
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCOC