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CAS 14213-12-8

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3-(1H-Tetrazol-1-yl)benzenamine

Description:
3-(1H-Tetrazol-1-yl)benzenamine, with the CAS number 14213-12-8, is an organic compound characterized by the presence of both a tetrazole and an aniline functional group. The tetrazole ring, a five-membered heterocyclic structure containing four nitrogen atoms, contributes to the compound's potential biological activity and stability. The aniline portion, which consists of a benzene ring attached to an amino group, enhances the compound's reactivity and solubility in various solvents. This compound is typically a solid at room temperature and may exhibit moderate to high polarity due to the presence of the amino and tetrazole groups. It is often used in pharmaceutical research and development, particularly in the synthesis of bioactive molecules. The presence of the tetrazole moiety can impart unique properties, such as increased lipophilicity and the ability to form hydrogen bonds, which are crucial for interactions with biological targets. Safety and handling precautions should be observed, as with many nitrogen-containing heterocycles, due to potential toxicity or reactivity.
Formula:C7H7N5
InChI:InChI=1S/C7H7N5/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,8H2
InChI key:InChIKey=YXWXLBHIUVBLIH-UHFFFAOYSA-N
SMILES:NC=1C=C(C=CC1)N2C=NN=N2
Synonyms:
  • 1H-Tetrazole, 1-(m-aminophenyl)-
  • 3-(1H-Tetrazol-1-yl)aniline
  • 3-(1H-Tetrazol-1-yl)benzenamine
  • Benzenamine, 3-(1H-tetrazol-1-yl)-
  • 1-(3-Aminophenyl)-1H-tetrazole
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