Paniculidine B

Base Information

• Chemical Name: Paniculidine B
• CAS No.: 97399-94-5
• Molecular Formula: C14H19NO2
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID501262957
• Nikkaji Number: J2.071.902H
• Wikidata: Q104995141
• Mol file: 97399-94-5.mol

Synonyms:paniculidine B

Chemical Property of Paniculidine B

Chemical Property:

• Boiling Point: 384.8±44.0 °C(Predicted)
• PKA: 15.00±0.10(Predicted)
• PSA: 34.39000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 2.26070
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

98%Min ^*data from raw suppliers

PaniculidineB ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CN(C2=CC=CC=C21)OC)CO
• Isomeric SMILES: C[C@H](CCC1=CN(C2=CC=CC=C21)OC)CO

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