5-(4-(tert-Butyl)phenyl)nicotinic acid

Base Information

• Chemical Name: 5-(4-(tert-Butyl)phenyl)nicotinic acid
• CAS No.: 893738-16-4
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.31
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00588090
• Wikidata: Q82480583
• Mol file: 893738-16-4.mol

Synonyms:893738-16-4;5-(4-(tert-Butyl)phenyl)nicotinic acid;5-(4-t-Butylphenyl)nicotinic acid;5-(4-Tert-butylphenyl)nicotinic acid;5-(4-TERT-BUTYLPHENYL)PYRIDINE-3-CARBOXYLIC ACID;5-(4-(tert-Butyl)phenyl)nicotinicacid;DTXSID00588090;MFCD06802650;AKOS000125046;BS-29714;CS-0208124;A861209

Chemical Property of 5-(4-(tert-Butyl)phenyl)nicotinic acid

Chemical Property:

• Boiling Point: 425.1±33.0 °C(Predicted)
• PKA: 2.14±0.10(Predicted)
• PSA: 50.19000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 3.74430
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

5-(4-t-Butylphenyl)nicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O