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CAS 100063-60-3

:

2-[[[2-[(Hydroxymethyl)[2-[(1-oxo-2-propen-1-yl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid

Description:
The chemical substance known as 2-[[[2-[(Hydroxymethyl)[2-[(1-oxo-2-propen-1-yl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid, with the CAS number 100063-60-3, is a complex organic compound characterized by its multi-functional structure. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts or esters. The presence of multiple amino groups indicates that it can participate in various chemical reactions, including those involving nucleophilic substitution or peptide bond formation. The hydroxymethyl group suggests potential for hydrogen bonding, enhancing solubility in polar solvents. Additionally, the propenamide functionality indicates reactivity that could be exploited in polymerization or cross-linking reactions. This compound may exhibit biological activity, making it of interest in pharmaceutical or biochemical research. Its intricate structure allows for diverse interactions, which could be relevant in drug design or as a biochemical probe. Overall, this substance exemplifies the complexity and versatility found in organic chemistry, particularly in compounds with multiple functional groups.
Formula:C16H21N3O5
InChI:InChI=1S/C16H21N3O5/c1-2-14(21)17-7-9-19(11-20)10-8-18-15(22)12-5-3-4-6-13(12)16(23)24/h2-6,20H,1,7-11H2,(H,17,21)(H,18,22)(H,23,24)
InChI key:InChIKey=XOXLECXVXJHGCC-UHFFFAOYSA-N
SMILES:C(NCCN(CCNC(C=C)=O)CO)(=O)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • Benzoic acid, 2-[[[2-[(hydroxymethyl)[2-[(1-oxo-2-propenyl)amino]ethyl]amino]ethyl]amino]carbonyl]-
  • Benzoic acid, 2-[[[2-[(hydroxymethyl)[2-[(1-oxo-2-propen-1-yl)amino]ethyl]amino]ethyl]amino]carbonyl]-
  • 2-[[[2-[(Hydroxymethyl)[2-[(1-oxoallyl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid
  • 2-[[[2-[(Hydroxymethyl)[2-[(1-oxo-2-propen-1-yl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid
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