5,7,8,15-Tetrahydro-4-hydroxy-3-methoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one

Base Information

• Chemical Name: 5,7,8,15-Tetrahydro-4-hydroxy-3-methoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one
• CAS No.: 490-52-8
• Molecular Formula: C20H21 N O5
• Molecular Weight: 355.38
• European Community (EC) Number: 207-711-7
• UNII: S9TC6BMK2V
• DSSTox Substance ID: DTXSID90197655
• Nikkaji Number: J342.449I
• Wikidata: Q83070457
• Mol file: 490-52-8.mol

Synonyms:hunnemanine

Chemical Property of 5,7,8,15-Tetrahydro-4-hydroxy-3-methoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one

Chemical Property:

• Vapor Pressure: 5.33E-13mmHg at 25°C
• Boiling Point: 556.7°Cat760mmHg
• Flash Point: 290.5°C
• PSA: 68.23000
• Density: 1.277g/cm³
• LogP: 2.48070
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 355.14197277
• Heavy Atom Count: 26
• Complexity: 514

Purity/Quality:

99% ^*data from raw suppliers

Hunnemanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3