1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (R)-

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (R)-
• CAS No.: 119324-85-5
• Molecular Formula: C13H21 N5 O4
• Molecular Weight: 311.3369
• DSSTox Substance ID: DTXSID10152423
• Wikidata: Q83019042
• Mol file: 119324-85-5.mol

Synonyms:(R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline;119324-85-5;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (R)-;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-1,3,-dimethyl-, (R)-;DTXSID10152423;LS-126876

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (R)-

Chemical Property:

• Vapor Pressure: 4.72E-13mmHg at 25°C
• Boiling Point: 552.7°C at 760 mmHg
• Flash Point: 288.1°C
• Density: 1.46g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 311.15935417
• Heavy Atom Count: 22
• Complexity: 435

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C
• Isomeric SMILES: CC[C@H](CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C