55432-59-2

Basic information

• Product Name: ISO-PROPYL-1,1,1,3,3,3-D6-AMINE
• Synonyms: ISO-PROPYL-1,1,1,3,3,3-D6-AMINE;iso-Propyl--d6-aMine;1,1,1,3,3,3-hexadeuteriopropan-2-amine
• CAS NO: 55432-59-2
• Molecular Formula: C₃H₉N
• Molecular Weight: 65.15
• Product Categories: Amines, Isotope Labeled Compounds, Miscellaneous Reagents
• Mol File: 55432-59-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: ISO-PROPYL-1,1,1,3,3,3-D6-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: ISO-PROPYL-1,1,1,3,3,3-D6-AMINE(55432-59-2)
• EPA Substance Registry System: ISO-PROPYL-1,1,1,3,3,3-D6-AMINE(55432-59-2)

Safety Data

• Hazardous Substances Data: 55432-59-2(Hazardous Substances Data)

Usage

Uses

Isopropyl-d6-amine is the isotope labelled analogue of Isopropylamine, an organic compound is a widely used for the synthesis of pharmaceutical and agricultural goods such as glyphosphate herbicides and as an additive for petroleum industry.

Upstream product

• 126794-59-0 (1,3-d6)-isopropylamine hydrochloride 
• 41966-81-8 acetone oxime-d6 
• 72878-20-7 d6-N-isopropylphthalimide 

Relevant articles and documents

Rearrangements in Metastable Ion Decompositions of Protonated Propylamines

Decomposition of nPrNH3(+) to NH4(+) does not occur via vicinal elimination.Hydrogen transfer takes place from all positions of the alkyl chain.Intermediacy of either an ion-neutral complex, , or rearrangement to iPrNH3(+) is required.SCF calculations were used to probe the potential energy surface.There is a minimum corresponding to , in which the nitrogen lone pair points towards the machine hydrogen and is 2.1 Angstroem away from it, and another, less stable, minimum corresponding to a hydrogen-bonded structure, H3N ...H3CCHCH3(+), in which one methyl hydrogen is 2.0 Angstroem from the nitrogen.Density of states estimates suggest that a vibrationally excited complex can live for the order of 100 ps before either collapsing to iPrNH3(+) or yielding NH4(+) and propene.