structure of 3,3,3-Trideuterioprop-1-ene

3,3,3-Trideuterioprop-1-ene

CAS No.: 1517-51-7
M. Wt: 45.09820
M. Fa: C3H3D3
InChI Key: QQONPFPTGQHPMA-BMSJAHLVSA-N

Names and Identifiers of 3,3,3-Trideuterioprop-1-ene

CAS Number

1517-51-7

IUPAC Name

3,3,3-trideuterioprop-1-ene

InChI

InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D3

InChIKey

QQONPFPTGQHPMA-BMSJAHLVSA-N

Canonical SMILES

CC=C

Isomeric SMILES

[2H]C([2H])([2H])C=C

Physical and chemical properties of 3,3,3-Trideuterioprop-1-ene

Density

0.617 g/cm3

Exact Mass

45.06580

LogP

1.19230

Molecular Formula

C3H3D3

Molecular Weight

45.09820

Applications of 3,3,3-Trideuterioprop-1-ene

The applications of 3,3,3-Trideuterioprop-1-ene are primarily found in research settings:

  • Nuclear Magnetic Resonance Spectroscopy: The unique isotopic labeling allows for enhanced resolution and sensitivity in NMR studies.
  • Mass Spectrometry: Deuterated compounds serve as internal standards for quantification and identification purposes.
  • Mechanistic Studies: The compound is useful in studying reaction mechanisms due to its distinct isotopic effects.

Interaction Studies of 3,3,3-Trideuterioprop-1-ene

Interaction studies involving 3,3,3-Trideuterioprop-1-ene focus on how this compound interacts with various biological systems and chemical environments:

  • Metabolic Pathway Tracing: It can be used to trace metabolic pathways in organisms by monitoring the incorporation and transformation of deuterium-labeled substrates.
  • Drug Development: Understanding how this compound interacts with enzymes or receptors can provide insights into drug design and efficacy.

Retrosynthesis analysis of 3,3,3-Trideuterioprop-1-ene

  • Route#1

    Cas:36789-14-7
    Cas:1517-51-7
  • Route#2

    Cas:1517-49-3
    Cas:1517-51-7
  • Route#3

    Cas:187737-37-7
    Cas:1517-51-7