N-Tert-butyl-2-chloroisonicotinamide

Base Information

• Chemical Name: N-Tert-butyl-2-chloroisonicotinamide
• CAS No.: 588694-28-4
• Molecular Formula: C10H13ClN2O
• Molecular Weight: 212.67600
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10476035
• Wikidata: Q82306957
• Mol file: 588694-28-4.mol

Synonyms:588694-28-4;N-TERT-BUTYL-2-CHLOROISONICOTINAMIDE;N-(tert-Butyl)-2-chloroisonicotinamide;N-tert-Butyl-2-chloropyridine-4-carboxamide;SCHEMBL13701663;DTXSID10476035;2-chloro-N-t-butylisonicotinamide;MFCD11128609;AKOS000205844;BS-29109;CS-0208496;A869343

Chemical Property of N-Tert-butyl-2-chloroisonicotinamide

Chemical Property:

• Melting Point: 97-98 °C
• Boiling Point: 346.8±27.0 °C(Predicted)
• PKA: 13.47±0.46(Predicted)
• PSA: 45.48000
• Density: 1.152±0.06 g/cm3(Predicted)
• LogP: 2.83810
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.0716407
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98%Min ^*data from raw suppliers

N-(tert-Butyl)-2-chloroisonicotinamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1=CC(=NC=C1)Cl