structure of 4,5,6,7-Tetrahydro-1,2-benzoxazol-3-amine

4,5,6,7-Tetrahydro-1,2-benzoxazol-3-amine

CAS No.: 1004-64-4
M. Wt: 138.16700
M. Fa: C7H10N2O
InChI Key: YTMJNWHCBGFYPZ-UHFFFAOYSA-N
Appearance: Light Yellow To Yellow Solid

Names and Identifiers of 1004-64-4

CAS Number

1004-64-4

EC Number

861-437-8

MDL Number

MFCD19205004

IUPAC Name

4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine

InChI

InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H2,(H2,8,9)

InChIKey

YTMJNWHCBGFYPZ-UHFFFAOYSA-N

Canonical SMILES

C1CCC2=C(C1)C(=NO2)N

UNSPSC Code

12352100

Physical and chemical properties of 1004-64-4

Exact Mass

138.07900

LogP

1.71680

Molecular Formula

C7H10N2O

Molecular Weight

138.16700

PSA

52.05000

Storage condition

2-8°C

Safety Information of 1004-64-4

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1004-64-4

The applications of 4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-amine span various fields:

  • Pharmaceutical Development: Utilized as a scaffold in drug design due to its biological activity.
  • Chemical Research: Employed as a building block for synthesizing novel compounds with enhanced properties.
  • Material Science: Investigated for potential use in developing new materials with unique characteristics.

Interaction Studies of 1004-64-4

Interaction studies of 4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-amine focus on its binding affinity to various biological targets. These studies reveal:

  • Enzyme Inhibition: The compound may inhibit specific enzymes involved in disease processes.
  • Receptor Modulation: It can interact with neurotransmitter receptors, affecting signaling pathways related to neurological functions.

Such interactions are critical for understanding its mechanism of action and therapeutic potential.

Biological Activity of 1004-64-4

Research indicates that 4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-amine possesses various biological activities. It has been studied for its potential:

  • Antimicrobial Properties: Exhibiting activity against certain bacterial strains.
  • Antiviral Effects: Showing promise in inhibiting viral replication.
  • Anticancer Potential: Investigated for its ability to induce apoptosis in cancer cells through interaction with specific molecular targets.

These properties make it a candidate for therapeutic applications in treating infections and cancer.

Physical sample testing spectrum (NMR) of 1004-64-4

Physical sample testing spectrum (NMR) of 1004-64-4

Retrosynthesis analysis of 1004-64-4

  • Route#1

    Cas:4513-77-3
    Cas:1004-64-4