Buntanine

Base Information

• Chemical Name: Buntanine
• CAS No.: 119116-85-7
• Molecular Formula: C20H21 N O5
• Molecular Weight: 355.3844
• DSSTox Substance ID: DTXSID80415198
• Metabolomics Workbench ID: 48262
• Nikkaji Number: J589.976A
• Wikidata: Q27105995
• Mol file: 119116-85-7.mol

Synonyms:Buntanine;119116-85-7;CHEBI:3214;MEGxp0_001428;DTXSID80415198;Q27105995;1,3,6-Trihydroxy-5-methoxy-10-methyl-2-prenylacridone;1,3,6-TRIHYDROXY-5-METHOXY-10-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-9,10-DIHYDROACRIDIN-9-ONE

Chemical Property of Buntanine

Chemical Property:

• Vapor Pressure: 1.16E-15mmHg at 25°C
• Boiling Point: 613.8°C at 760 mmHg
• Flash Point: 325°C
• Density: 1.322g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 355.14197277
• Heavy Atom Count: 26
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)O)C

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