CAS 110079-42-0

N-(1,1-Dimethylethyl)-3-nitrobenzenemethanamine

Description:

N-(1,1-Dimethylethyl)-3-nitrobenzenemethanamine, with the CAS number 110079-42-0, is an organic compound characterized by its structure, which includes a nitro group and an amine functional group attached to a benzene ring. The presence of the bulky tert-butyl group (1,1-dimethylethyl) contributes to its steric hindrance, influencing its reactivity and interactions with other molecules. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its nitro group can participate in various chemical reactions, including reduction and nucleophilic substitution, making it of interest in synthetic organic chemistry. Additionally, the amine functionality can engage in hydrogen bonding, affecting its physical properties such as boiling and melting points. Safety data should be consulted, as compounds with nitro and amine groups can pose health risks, including toxicity and potential environmental hazards. Overall, this compound's unique structure and functional groups make it a subject of interest in both academic and industrial research.

Formula: C₁₁H₁₆N₂O₂

InChI: InChI=1S/C11H16N2O2/c1-11(2,3)12-8-9-5-4-6-10(7-9)13(14)15/h4-7,12H,8H2,1-3H3

InChI key: InChIKey=SBNIXZHDUMUUKW-UHFFFAOYSA-N

SMILES: C(NC(C)(C)C)C1=CC(N(=O)=O)=CC=C1

Synonyms:

• N-(1,1-Dimethylethyl)-3-nitrobenzenemethanamine
• Benzenemethanamine, N-(1,1-dimethylethyl)-3-nitro-