structure of N,N-Dimethylisopropylamine

N,N-Dimethylisopropylamine

CAS No.: 996-35-0
M. Wt: 87.163
M. Fa: C5H13N
InChI Key: VMOWKUTXPNPTEN-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of N,N-Dimethylisopropylamine

CAS Number

996-35-0

EC Number

213-635-5

IUPAC Name

N,N-dimethylpropan-2-amine

InChI

InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3

InChIKey

VMOWKUTXPNPTEN-UHFFFAOYSA-N

Canonical SMILES

CC(C)N(C)C

UNII

WA4TE070J7

Physical and chemical properties of N,N-Dimethylisopropylamine

Acidity coefficient

9.91±0.50(Predicted)

Boiling Point

65.8±0.0 °C at 760 mmHg

BRN

1696929

Density

0.7±0.1 g/cm3

Exact Mass

87.104797

explosive limit

1.0-8.1%(V)

Flash Point

-9.4±0.0 °C

Index of Refraction

1.402

LogP

0.94

Melting Point

-115.88°C (estimate)

Molecular Formula

C5H13N

Molecular Weight

87.163

pH

11.5 (100g/l, H2O, 20℃)

PSA

3.24000

Stability

Stable. Highly flammable. Incompatible with strong oxidizing agents.

Storage condition

Store below +30°C.

Vapour Pressure

155.5±0.1 mmHg at 25°C

Water Solubility

100g/L at 25℃

Safety Information of N,N-Dimethylisopropylamine

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of N,N-Dimethylisopropylamine

N,N-Dimethylisopropylamine finds applications across various fields:

  • Organic Synthesis: It is widely used as a base in organic synthesis due to its ability to stabilize reaction intermediates without participating as a nucleophile.
  • Pharmaceutical Industry: The compound may be involved in synthesizing pharmaceutical intermediates or active pharmaceutical ingredients.
  • Chemical Research: It serves as a reagent in research settings for studying reaction mechanisms involving nitrogen-containing compounds.

Interaction Studies of N,N-Dimethylisopropylamine

Research has explored the interaction dynamics of N,N-dimethylisopropylamine with other compounds:

  • Methyl Migration Studies: Investigations into methyl migration between protonated forms of N,N-dimethylisopropylamine and other aliphatic amines have provided insights into its reactivity and behavior under different conditions.
  • Fragmentation Dynamics: Studies on energy flow and fragmentation upon excitation have enhanced understanding of its electronic properties and potential applications in material science.

Biological Activity of N,N-Dimethylisopropylamine

While specific biological activities of N,N-dimethylisopropylamine are less documented compared to other compounds, it is known to exhibit irritant properties and can be toxic upon exposure. Its acute toxicity and corrosive nature necessitate careful handling in laboratory settings. Studies have shown that it can participate in methylation processes involving nitrogen-containing compounds, indicating potential interactions with biological systems.

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

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

Retrosynthesis analysis of N,N-Dimethylisopropylamine

  • Route#1

    Cas:5350-67-4
    Cas:917-64-6
    Cas:996-35-0
  • Route#2

    Cas:50-00-0
    Cas:75-31-0
    Cas:996-35-0
  • Route#3

    Cas:50-00-0
    Cas:64-18-6
    Cas:75-31-0
    Cas:996-35-0