Fumariline

Base Information

• Chemical Name: Fumariline
• CAS No.: 20411-03-4
• Molecular Formula: C20H17 N O5
• Molecular Weight: 351.35
• DSSTox Substance ID: DTXSID90942581
• Nikkaji Number: J114.150C
• Wikidata: Q82919588
• Mol file: 20411-03-4.mol

Synonyms:fumariline

Chemical Property of Fumariline

Chemical Property:

• Melting Point: 138 °C
• Boiling Point: 531.9°Cat760mmHg
• PKA: 5.18±0.20(Predicted)
• Flash Point: 275.5°C
• PSA: 57.23000
• Density: 1.51g/cm³
• LogP: 2.20410
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 351.11067264
• Heavy Atom Count: 26
• Complexity: 613

Purity/Quality:

(+)-FUMARILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C=C2C14CC5=C(C4=O)C6=C(C=C5)OCO6)OCO3
• Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@]14CC5=C(C4=O)C6=C(C=C5)OCO6)OCO3