4-Hydroxy-4-(3-pyridyl)-butanoic acid

Base Information

• Chemical Name: 4-Hydroxy-4-(3-pyridyl)-butanoic acid
• CAS No.: 15569-97-8
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.19
• UNII: AP9AJ7AWV9
• DSSTox Substance ID: DTXSID50864598
• Nikkaji Number: J458.534H
• Wikidata: Q27156088
• Metabolomics Workbench ID: 37610
• Mol file: 15569-97-8.mol

Synonyms:4-HOPC4A;4-hydroxy-4-(3-pyridyl)butanoic acid;4-hydroxy-4-(3-pyridyl)butyric acid

Chemical Property of 4-Hydroxy-4-(3-pyridyl)-butanoic acid

Chemical Property:

• Vapor Pressure: 1.96E-07mmHg at 25°C
• Boiling Point: 409.3°Cat760mmHg
• Flash Point: 201.3°C
• PSA: 70.42000
• Density: 1.281g/cm³
• LogP: 0.97980
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

(+/-)-4-HYDROXY-4-(3-PYRIDYL)BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(CCC(=O)O)O
• Uses: An intermediate in the mammalian metabolism of Nicotine

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