structure of Quinoline-3,4-diamine

Quinoline-3,4-diamine

CAS No.: 87751-33-5
M. Wt: 159.188
M. Fa: C9H9N3
InChI Key: UTOMICFLROGMAE-UHFFFAOYSA-N

Names and Identifiers of Quinoline-3,4-diamine

CAS Number

87751-33-5

EC Number

980-196-0

MDL Number

MFCD00666954

IUPAC Name

quinoline-3,4-diamine

InChI

InChI=1S/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)

InChIKey

UTOMICFLROGMAE-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C2C(=C1)C(=C(C=N2)N)N

UNSPSC Code

12352100

Physical and chemical properties of Quinoline-3,4-diamine

Acidity coefficient

8.98±0.50(Predicted)

Boiling Point

384.3±27.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

159.079651

Flash Point

214.4±10.9 °C

H Bond Acceptors

3

H Bond Donors

2

Index of Refraction

1.775

LogP

1.44

Melting Point

129 °C

Molecular Formula

C9H9N3

Molecular Weight

159.188

PSA

64.93000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of Quinoline-3,4-diamine

Pictograms

Signal Word

 Warning

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

Applications of Quinoline-3,4-diamine

Quinoline-3,4-diamine has several applications:

  • Pharmaceuticals: It serves as a key intermediate in the synthesis of various medicinal compounds.
  • Fluorescent Probes: Its derivatives are used in the development of probes for detecting biological molecules like nitric oxide in living cells.
  • Material Science: Quinoline derivatives are explored for their potential use in organic electronics and photonic devices due to their electronic properties.

Interaction Studies of Quinoline-3,4-diamine

Interaction studies involving quinoline-3,4-diamine focus on its binding affinity with biological targets such as enzymes and receptors. These studies help elucidate its mechanism of action and potential therapeutic effects. For instance, research has demonstrated that certain derivatives can effectively inhibit specific enzymes associated with disease pathways, suggesting their utility as drug candidates.

Biological Activity of Quinoline-3,4-diamine

Quinoline-3,4-diamine exhibits significant biological activities, including:

  • Antimicrobial Properties: It has shown effectiveness against various bacterial strains.
  • Anticancer Activity: Some studies indicate that derivatives of quinoline-3,4-diamine possess cytotoxic effects against cancer cell lines.
  • Anti-inflammatory Effects: The compound has been investigated for its potential to reduce inflammation in biological systems.

Retrosynthesis analysis of Quinoline-3,4-diamine

  • Route#1

    Cas:36825-36-2
    Cas:87751-33-5

  • Route#2

    Cas:580-17-6
    Cas:87751-33-5

  • Route#3

    Cas:39061-97-7
    Cas:87751-33-5