1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 4591-66-6
• Molecular Formula: C12H15 N O3 . Cl H
• Molecular Weight: 347.3442
• DSSTox Substance ID: DTXSID00412381
• Mol file: 4591-66-6.mol

Synonyms:4591-66-6;AC1NRDO8;1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione;Oprea1_041172;Oprea1_066718;DTXSID00412381;AKOS005394959;NCGC00315275-01;AB01310129-01

Chemical Property of 1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 2.44E-14mmHg at 25°C
• Boiling Point: 581°Cat760mmHg
• Flash Point: 305.2°C
• Density: 1.45g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 347.13936762
• Heavy Atom Count: 25
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C