Phosphinic acid, 4-isoquinolinyl-, butyl ester

Base Information

• Chemical Name: Phosphinic acid, 4-isoquinolinyl-, butyl ester
• CAS No.: 821009-70-5
• Molecular Formula: C13H16NO2P
• Molecular Weight: 248.23700
• DSSTox Substance ID: DTXSID10462711
• Wikidata: Q82287291

Synonyms:Phosphinic acid, 4-isoquinolinyl-, butyl ester;821009-70-5;DTXSID10462711

Chemical Property of Phosphinic acid, 4-isoquinolinyl-, butyl ester

Chemical Property:

• PSA: 73.33000
• LogP: 3.41920
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 248.08404072
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCO[P+](=O)C1=CN=CC2=CC=CC=C21

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