2-(Isopropylamino)isonicotinic acid

Base Information

• Chemical Name: 2-(Isopropylamino)isonicotinic acid
• CAS No.: 77314-51-3
• Molecular Formula: C9H12N2O2
• Molecular Weight: 180.20400
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80542337
• Wikidata: Q82418961
• Mol file: 77314-51-3.mol

Synonyms:2-(ISOPROPYLAMINO)ISONICOTINIC ACID;77314-51-3;2-(propan-2-ylamino)pyridine-4-carboxylic acid;4-Pyridinecarboxylic acid, 2-[(1-methylethyl)amino]-;SCHEMBL11341910;DTXSID80542337;CDA31451;MFCD11131982;AKOS000213700;SB53920;2-(ISOPROPYLAMINO)ISONICOTINICACID;CS-0119847;F17991;2-[(Propan-2-yl)amino]pyridine-4-carboxylic acid;2-[(1-Methylethyl)amino]-4-pyridinecarboxylic acid

Chemical Property of 2-(Isopropylamino)isonicotinic acid

Chemical Property:

• PSA: 62.22000
• LogP: 1.67310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

2-(Isopropylamino)isonicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=NC=CC(=C1)C(=O)O