Albifylline

Base Information

• Chemical Name: Albifylline
• CAS No.: 107767-55-5
• Molecular Formula: C13H20 N4 O3
• Molecular Weight: 280.32
• UNII: A3E4BQL3WG
• DSSTox Substance ID: DTXSID20148236
• Nikkaji Number: J431.744K
• Wikipedia: Albifylline
• Wikidata: Q15633916
• NCI Thesaurus Code: C96192
• Mol file: 107767-55-5.mol

Synonyms:1-(5-hydroxy-5-methylhexyl)-3-methylxanthine;A 81-3138;HWA 138;HWA-138

Chemical Property of Albifylline

Chemical Property:

• Vapor Pressure: 6.04E-12mmHg at 25°C
• Boiling Point: 527.2°Cat760mmHg
• PKA: 8.62±0.70(Predicted)
• Flash Point: 272.7°C
• PSA: 92.91000
• Density: 1.27g/cm³
• LogP: 0.36450
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 280.15354051
• Heavy Atom Count: 20
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O
• Therapeutic Function: Vasodilator

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