CAS 90389-71-2

Benzenemethanamine, N-ethyl-3-nitro-, hydrochloride (1:1)

Description:

Benzenemethanamine, N-ethyl-3-nitro-, hydrochloride (1:1), commonly referred to as a substituted aniline derivative, is characterized by its amine functional group, which contributes to its basicity and potential reactivity. The presence of a nitro group at the meta position relative to the amine group influences its electronic properties, making it a candidate for various chemical reactions, including electrophilic aromatic substitution. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in biological and chemical applications. This compound may exhibit biological activity, potentially serving as a precursor in the synthesis of pharmaceuticals or agrochemicals. Its molecular structure suggests that it may participate in hydrogen bonding due to the amine and nitro groups, affecting its physical properties such as melting point and solubility. Safety data should be consulted, as nitro compounds can be hazardous, and appropriate handling procedures should be followed in laboratory settings.

Formula: C₉H₁₂N₂O₂·ClH

InChI: InChI=1S/C9H12N2O2.ClH/c1-2-10-7-8-4-3-5-9(6-8)11(12)13;/h3-6,10H,2,7H2,1H3;1H

InChI key: InChIKey=IPELTCBRKZZTTK-UHFFFAOYSA-N

SMILES: C(NCC)C1=CC(N(=O)=O)=CC=C1.Cl

Synonyms:

• N-(3-Nitrobenzyl)ethanamine hydrochloride
• Benzenemethanamine, N-ethyl-3-nitro-, hydrochloride (1:1)
• Benzenemethanamine, N-ethyl-3-nitro-, monohydrochloride