CAS 1185292-98-1

1,3-Benzodioxole-5-methanamine, N-(1,3-benzodioxol-5-ylmethyl)-, ethanedioate (1:1)

Description:

1,3-Benzodioxole-5-methanamine, N-(1,3-benzodioxol-5-ylmethyl)-, ethanedioate (1:1), identified by CAS number 1185292-98-1, is a chemical compound characterized by its unique structure that includes a benzodioxole moiety and an amine functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its reactivity and solubility. The presence of the ethanedioate (oxalate) component suggests potential for forming salts or complexes, which may enhance its stability or alter its solubility in various solvents. The benzodioxole structure is known for its applications in pharmaceuticals and organic synthesis, often contributing to biological activity. Additionally, the compound may exhibit fluorescence or other optical properties due to its conjugated system. Its specific applications and behavior in chemical reactions would depend on the functional groups present and the overall molecular architecture, making it a subject of interest in medicinal chemistry and material science.

Formula: C₁₆H₁₅NO₄·C₂H₂O₄

InChI: InChI=1S/C16H15NO4.C2H2O4/c1-3-13-15(20-9-18-13)5-11(1)7-17-8-12-2-4-14-16(6-12)21-10-19-14;3-1(4)2(5)6/h1-6,17H,7-10H2;(H,3,4)(H,5,6)

InChI key: InChIKey=HPEDGYLPVHYLIJ-UHFFFAOYSA-N

SMILES: C(NCC=1C=C2C(=CC1)OCO2)C=3C=C4C(=CC3)OCO4.C(C(O)=O)(O)=O

Synonyms:

• 1,3-Benzodioxole-5-methanamine, N-(1,3-benzodioxol-5-ylmethyl)-, ethanedioate (1:1)