CAS 89059-38-1

Benzenamine-1,2,3,4,5,6-13C6, hydrochloride (1:1)

Description:

Benzenamine-1,2,3,4,5,6-^13C6, hydrochloride (1:1), with CAS number 89059-38-1, is a stable isotopically labeled compound derived from aniline, where all six carbon atoms in the benzene ring are replaced with the carbon-13 isotope. This substitution allows for enhanced detection and analysis in various applications, particularly in NMR spectroscopy. The hydrochloride form indicates that the compound is a salt formed with hydrochloric acid, which typically enhances its solubility in water and stability. As a derivative of aniline, it retains the basic amine functional group, making it a weak base. The presence of the amine group allows for potential reactivity in various chemical reactions, including nucleophilic substitutions and coupling reactions. This compound is often used in research and analytical chemistry, particularly in studies involving metabolic pathways or tracer studies due to its isotopic labeling. Safety data should be consulted, as with any chemical, to ensure proper handling and usage in laboratory settings.

Formula: C₆H₇N·ClH

InChI: InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H/i1+1,2+1,3+1,4+1,5+1,6+1;

InChI key: InChIKey=MMCPOSDMTGQNKG-BVNCJLROSA-N

SMILES: N[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1.Cl

Synonyms:

• Benzenamine-1,2,3,4,5,6-13C6, hydrochloride (1:1)
• Benzenamine-13C6, hydrochloride

Aniline-13C6 Hydrochloride

Controlled Product

CAS: 89059-38-1

Applications Aniline-13C6 Hydrochloride is an intermediate in the synthesis of Indole-3-carboxaldehyde-13C8 (I614993), the labelled version of Indole-3-carboxaldehyde (I615020) which is a tryptophan (T947200) metabolite from Streptomyces staurosporeus and it is chemical constituent from Inula wissmanniana. Indole-3-carboxaldehyde and other tryptophan metabolites play an important role in mammalian gut immune homeostasis.
References Yang, S., et al.: J. Nat. Prod., 60, 44 (1997); Cheng, X. et al.: Chem. Nat. Compd., 49, 815 (2013); Zelante, T., et al,: Immunity, 39, 372 (2013)

Formula: C₆H₇NHCl

Color and Shape: Neat

Molecular weight: 93.05785

Ref: TR-A662472