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CAS 1909336-81-7

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1H-Imidazole-5-carboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1)

Description:
1H-Imidazole-5-carboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1) is a chemical compound characterized by its imidazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a carboxylic acid functional group, contributing to its acidic properties, and a tert-butyl group, which enhances its hydrophobic characteristics. The hydrochloride form indicates that the compound is in a salt form, typically enhancing its solubility in water and stability. This compound may exhibit biological activity, potentially serving as a building block in pharmaceuticals or agrochemicals. Its molecular interactions can be influenced by the presence of the imidazole and carboxylic acid groups, which can participate in hydrogen bonding and coordination with metal ions. The CAS number 1909336-81-7 uniquely identifies this compound in chemical databases, facilitating its study and application in various fields, including medicinal chemistry and material science. Overall, the compound's unique structure and properties make it of interest for further research and potential applications.
Formula:C8H12N2O2·ClH
InChI:InChI=1S/C8H12N2O2.ClH/c1-8(2,3)6-5(7(11)12)9-4-10-6;/h4H,1-3H3,(H,9,10)(H,11,12);1H
InChI key:InChIKey=RTBRTBFMNRUPAK-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=C(C(O)=O)N=CN1.Cl
Synonyms:
  • 1H-Imidazole-5-carboxylic acid, 4-(1,1-dimethylethyl)-, hydrochloride (1:1)
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