structure of 5-Methoxybenzene-1,3-diamine

5-Methoxybenzene-1,3-diamine

CAS No.: 100-96-9
M. Wt: 138.16700
M. Fa: C7H10N2O
InChI Key: FLDIDKTWHOYFMG-UHFFFAOYSA-N
Appearance: Gray Solid

Names and Identifiers of 5-Methoxybenzene-1,3-diamine

CAS Number

100-96-9

MDL Number

MFCD00127692

IUPAC Name

5-methoxybenzene-1,3-diamine

InChI

InChI=1S/C7H10N2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,8-9H2,1H3

InChIKey

FLDIDKTWHOYFMG-UHFFFAOYSA-N

Canonical SMILES

COC1=CC(=CC(=C1)N)N

UNSPSC Code

12352100

Physical and chemical properties of 5-Methoxybenzene-1,3-diamine

Acidity coefficient

4.46±0.10(Predicted)

Boiling Point

198 °C(Press: 0.5 Torr)

Density

1.170±0.06 g/cm3(Predicted)

Exact Mass

138.07900

H Bond Acceptors

3

H Bond Donors

2

LogP

2.02200

Melting Point

66 °C

Molecular Formula

C7H10N2O

Molecular Weight

138.16700

PSA

61.27000

Safety Information of 5-Methoxybenzene-1,3-diamine

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 5-Methoxybenzene-1,3-diamine

5-Methoxybenzene-1,3-diamine finds applications in various fields:

  • Dyes and Pigments: It is used as an intermediate in the synthesis of azo dyes and other colorants.
  • Pharmaceuticals: Its derivatives are explored for medicinal applications, particularly in cancer therapy and neuroprotection.
  • Polymer Chemistry: It serves as a building block for polyimides and other high-performance polymers due to its thermal stability and mechanical properties.

Interaction Studies of 5-Methoxybenzene-1,3-diamine

Studies on the interactions of 5-Methoxybenzene-1,3-diamine with biological systems reveal its potential effects on enzyme activity and cellular pathways. It has been shown to interact with various receptors and enzymes, influencing metabolic processes. Further research is ongoing to elucidate its mechanisms of action at the molecular level, particularly concerning its therapeutic effects and toxicity profiles.

Biological Activity of 5-Methoxybenzene-1,3-diamine

Research indicates that 5-Methoxybenzene-1,3-diamine exhibits various biological activities. It has been studied for its potential as an anti-cancer agent due to its ability to inhibit certain enzymes involved in tumor proliferation. Additionally, it has shown promise in antimicrobial activity against specific bacterial strains. Its derivatives have also been explored for their roles in treating neurodegenerative diseases due to their ability to cross the blood-brain barrier.

Retrosynthesis analysis of 5-Methoxybenzene-1,3-diamine

  • Route#1

    Cas:5327-44-6
    Cas:7647-01-0
    Cas:100-96-9
  • Route#2

    Cas:5327-44-6
    Cas:100-96-9
  • Route#3

    Cas:74137-36-3
    Cas:100-96-9