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CAS 904813-55-4

:

2-[(3-Aminopropyl)amino]-3-pyridinecarboxylic acid

Description:
2-[(3-Aminopropyl)amino]-3-pyridinecarboxylic acid, also known by its CAS number 904813-55-4, is an organic compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features an amino group and a carboxylic acid functional group, contributing to its potential as a zwitterion under certain pH conditions. The presence of the 3-aminopropyl side chain enhances its solubility in polar solvents and may influence its biological activity, making it of interest in pharmaceutical research. The compound's molecular structure allows for hydrogen bonding, which can affect its interactions with biological targets. Additionally, its pKa values suggest it can exist in different protonation states depending on the pH of the environment, which is crucial for its reactivity and solubility. Overall, this compound's unique structural features position it as a candidate for various applications in medicinal chemistry and biochemistry.
Formula:C9H13N3O2
InChI:InChI=1S/C9H13N3O2/c10-4-2-6-12-8-7(9(13)14)3-1-5-11-8/h1,3,5H,2,4,6,10H2,(H,11,12)(H,13,14)
InChI key:InChIKey=HTITYDAUGKFYIG-UHFFFAOYSA-N
SMILES:N(CCCN)C1=C(C(O)=O)C=CC=N1
Synonyms:
  • 2-(3-Amino-propylamino)-nicotinic acid
  • 2-[(3-Aminopropyl)amino]-3-pyridinecarboxylic acid
  • 2-[(3-Aminopropyl)amino]nicotinic acid
  • 3-Pyridinecarboxylic Acid, 2-[(3-Aminopropyl)Amino]-
  • Acide 2-[(3-aminopropyl)amino]nicotinique
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