Stephanine

Base Information

• Chemical Name: Stephanine
• CAS No.: 517-63-5
• Molecular Formula: C19H19NO3
• Molecular Weight: 309.363
• DSSTox Substance ID: DTXSID90965972
• Nikkaji Number: J1.261.672D
• Wikidata: Q72508879
• Metabolomics Workbench ID: 143327
• ChEMBL ID: CHEMBL601020
• Mol file: 517-63-5.mol

Synonyms:stephanine

Chemical Property of Stephanine

Chemical Property:

• Vapor Pressure: 8.99E-09mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 463.6 °C at 760 mmHg
• Flash Point: 140.4 °C
• PSA: 30.93000
• Density: 1.268 g/cm³
• LogP: 3.11390
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 309.13649347
• Heavy Atom Count: 23
• Complexity: 458

Purity/Quality:

98%Min ^*data from raw suppliers

Stephanine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3
• Isomeric SMILES: CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC=C5OC)OCO3