structure of N,N-Diethylethylenediamine

N,N-Diethylethylenediamine

CAS No.: 100-36-7
M. Wt: 116.205
M. Fa: C6H16N2
InChI Key: UDGSVBYJWHOHNN-UHFFFAOYSA-N
Appearance: Colorless to Light yellow clear liquid

Names and Identifiers of N,N-Diethylethylenediamine

CAS Number

100-36-7

EC Number

202-844-7

MDL Number

MFCD00008176

IUPAC Name

N',N'-diethylethane-1,2-diamine

InChI

InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3

InChIKey

UDGSVBYJWHOHNN-UHFFFAOYSA-N

Canonical SMILES

CCN(CC)CCN

UNII

859V6OK12Y

UNSPSC Code

12352100

UN Number

2685

Physical and chemical properties of N,N-Diethylethylenediamine

Acidity coefficient

pK1:7.70(+2);pK2:10.46(+1) (25°C)

Boiling Point

142.5±8.0 °C at 760 mmHg

BRN

605299

Density

0.8±0.1 g/cm3

Exact Mass

116.131348

explosive limit

0.7-8.4%(V)

Flash Point

30.6±0.0 °C

Index of Refraction

1.448

LogP

0.21

Melting Point

<-70ºC

Molecular Formula

C6H16N2

Molecular Weight

116.205

PSA

29.26000

Sensitivity

Air Sensitive

Storage condition

Store below +30°C.

Vapour Pressure

2.97 [mmHg]

Water Solubility

MISCIBLE

Safety Information of N,N-Diethylethylenediamine

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of N,N-Diethylethylenediamine

N,N-Diethylethylenediamine has diverse applications across various fields:

  • Pharmaceuticals: It is instrumental in synthesizing anti-malarial compounds and other pharmaceuticals.
  • Chemical Synthesis: Used as a reagent in organic synthesis for producing various chemical intermediates.
  • Imaging Agents: Involved in developing imaging agents for melanoma targeting using positron emission tomography and single-photon emission computed tomography.

Interaction Studies of N,N-Diethylethylenediamine

Interaction studies of N,N-Diethylethylenediamine reveal its reactivity with several chemical classes:

  • Incompatibility with Isocyanates and Halogenated Organics: It may react violently with these compounds, necessitating caution during handling.
  • Reducing Agent Properties: As a strong reducing agent, it can generate flammable gases when combined with certain strong oxidizers.

Biological Activity of N,N-Diethylethylenediamine

Research indicates that N,N-Diethylethylenediamine exhibits biological activities, including:

  • Induction of Apoptosis: It has been shown to induce apoptosis through a caspase-3 dependent pathway, suggesting potential applications in cancer therapy.
  • Anti-Malarial Synthesis: The compound is utilized in the synthesis of anti-malarial drugs, highlighting its significance in medicinal chemistry.

Physical sample testing spectrum (NMR) of N,N-Diethylethylenediamine

Physical sample testing spectrum (NMR) of N,N-Diethylethylenediamine

Retrosynthesis analysis of N,N-Diethylethylenediamine

  • Route#1

    Cas:150-77-6
    Cas:100-36-7
  • Route#2

    Cas:100-35-6
    Cas:100-97-0
    Cas:100-36-7
  • Route#3

    Cas:100-35-6
    Cas:100-36-7