structure of 7-(Diethylamino)coumarin-3-carbohydrazide

7-(Diethylamino)coumarin-3-carbohydrazide

CAS No.: 100343-98-4
M. Wt: 275.303
M. Fa: C14H17N3O3
InChI Key: LYBMHAINSFEHRL-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 100343-98-4

CAS Number

100343-98-4

EC Number

635-183-1

IUPAC Name

7-(diethylamino)-2-oxochromene-3-carbohydrazide

InChI

InChI=1S/C14H17N3O3/c1-3-17(4-2)10-6-5-9-7-11(13(18)16-15)14(19)20-12(9)8-10/h5-8H,3-4,15H2,1-2H3,(H,16,18)

InChIKey

LYBMHAINSFEHRL-UHFFFAOYSA-N

Canonical SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NN

Physical and chemical properties of 100343-98-4

BRN

5574454

Density

1.3±0.1 g/cm3

Exact Mass

275.126984

Index of Refraction

1.621

LogP

2.41

Melting Point

162-165 °C(Solv: chloroform (67-66-3); hexane (110-54-3))

Molecular Formula

C14H17N3O3

Molecular Weight

275.303

PSA

88.57000

Solubility

DMF: soluble

Water Solubility

DMF: soluble

λmax

420 nm (MeOH)

Safety Information of 100343-98-4

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 100343-98-4

This compound has several notable applications:

  • Analytical Chemistry: It serves as a derivatizing agent for the detection of carboxylic acids and carbonylated molecules.
  • Biochemical Research: Used for labeling proteins and other biomolecules containing carbonyl groups.
  • Food Analysis: Employed in detecting lipid peroxidation products in food samples.

Interaction Studies of 100343-98-4

Research indicates that 7-(Diethylamino)coumarin-3-carbohydrazide can selectively label aldehydes and epoxides, facilitating their identification and semi-quantification. Studies have demonstrated its effectiveness in deriving both low molecular weight and high molecular weight carbonylated lipid peroxidation products. The compound's interactions are influenced by environmental conditions such as temperature and solvent choice.

Biological Activity of 100343-98-4

The primary biological activity of 7-(Diethylamino)coumarin-3-carbohydrazide lies in its ability to detect lipid peroxidation products, which are indicative of oxidative stress in biological systems. This compound interacts with its targets through derivatization, influencing biochemical pathways related to lipid metabolism. Its solubility in various solvents such as dimethylformamide, acetonitrile, chloroform, and methanol facilitates its application in diverse experimental settings.

Physical sample testing spectrum (NMR) of 100343-98-4

Physical sample testing spectrum (NMR) of 100343-98-4

Retrosynthesis analysis of 100343-98-4

  • Route#1

    Cas:17754-90-4
    Cas:100343-98-4
  • Route#2

    Cas:28705-46-6
    Cas:100343-98-4