Atalaphylline

Base Information

• Chemical Name: Atalaphylline
• CAS No.: 28233-35-4
• Molecular Formula: C23H25 N O4
• Molecular Weight: 379.45
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10331993
• Nikkaji Number: J21.545G
• Wikidata: Q27105874
• Metabolomics Workbench ID: 69494
• Mol file: 28233-35-4.mol

Synonyms:Atalaphylline;28233-35-4;C10645;1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)-10H-acridin-9-one;28233-34-3;1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9(10H)-acridinone;AC1L9DKZ;1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)acridin-9(10H)-one;CHEBI:2903;DTXSID10331993;MolPort-021-804-767;AKOS040763251;Q27105874

Chemical Property of Atalaphylline

Chemical Property:

• Vapor Pressure: 2.82E-14mmHg at 25°C
• Melting Point: 243-245 °C
• Boiling Point: 584.9°Cat760mmHg
• PKA: 7.93±0.20(Predicted)
• Flash Point: 307.5°C
• PSA: 93.55000
• Density: 1.242g/cm³
• LogP: 4.81550
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 379.17835828
• Heavy Atom Count: 28
• Complexity: 635

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=C(N2)C(=CC=C3)O)C