structure of 1-(4-Aminophenyl)-3-cyclopropylurea

1-(4-Aminophenyl)-3-cyclopropylurea

CAS No.: 1000931-26-9
M. Wt: 191.23000
M. Fa: C10H13N3O
InChI Key: CMXMMZLCDAGGNQ-UHFFFAOYSA-N

Names and Identifiers of 1-(4-Aminophenyl)-3-cyclopropylurea

CAS Number

1000931-26-9

MDL Number

MFCD09802241

IUPAC Name

1-(4-aminophenyl)-3-cyclopropylurea

InChI

InChI=1S/C10H13N3O/c11-7-1-3-8(4-2-7)12-10(14)13-9-5-6-9/h1-4,9H,5-6,11H2,(H2,12,13,14)

InChIKey

CMXMMZLCDAGGNQ-UHFFFAOYSA-N

Canonical SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)N

UNSPSC Code

12352100

Physical and chemical properties of 1-(4-Aminophenyl)-3-cyclopropylurea

Exact Mass

191.10600

H Bond Acceptors

2

H Bond Donors

3

LogP

2.59780

Molecular Formula

C10H13N3O

Molecular Weight

191.23000

PSA

67.15000

Safety Information of 1-(4-Aminophenyl)-3-cyclopropylurea

Pictograms

Signal Word

 Warning

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

Applications of 1-(4-Aminophenyl)-3-cyclopropylurea

1-(4-Aminophenyl)-3-cyclopropylurea has potential applications in various fields:

  • Pharmaceuticals: Due to its anti-inflammatory and analgesic properties, it could be developed into a therapeutic agent for treating pain and inflammation.
  • Agriculture: Its unique structure may offer potential as a pesticide or herbicide, although further studies are needed to explore this application.
  • Material Science: The compound's properties may be useful in developing new materials or polymers with specific functionalities.

Interaction Studies of 1-(4-Aminophenyl)-3-cyclopropylurea

Interaction studies involving 1-(4-Aminophenyl)-3-cyclopropylurea focus on its binding affinities with various biological targets. These studies are crucial for understanding its mechanism of action and potential side effects. Research often employs techniques such as:

  • Molecular Docking Studies: To predict how well the compound binds to specific enzymes or receptors.
  • In Vitro Assays: To evaluate its biological activity against cell lines or isolated proteins.

Biological Activity of 1-(4-Aminophenyl)-3-cyclopropylurea

Research indicates that 1-(4-Aminophenyl)-3-cyclopropylurea exhibits significant biological activities, particularly in the realm of pharmacology. It has been studied for its potential as an anti-inflammatory and analgesic agent due to its structural similarity to known non-steroidal anti-inflammatory drugs (NSAIDs). Additionally, preliminary studies suggest it may have antitumor properties, making it a candidate for further investigation in cancer therapy.

Retrosynthesis analysis of 1-(4-Aminophenyl)-3-cyclopropylurea

  • Route#1

    Cas:71026-66-9
    Cas:1000931-26-9