17616-23-8

Basic information

• Product Name: (1,1-~2~H_2_)ethanamine
• CAS NO: 17616-23-8
• Molecular Formula: C₂H₅D₂N
• Molecular Weight: 47.096
• Mol File: 17616-23-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 14.2°C at 760 mmHg
• Density: 0.722g/cm³
• Vapor Pressure: 1130mmHg at 25°C
• Refractive Index: 1.372
• CAS DataBase Reference: (1,1-~2~H_2_)ethanamine(CAS DataBase Reference)
• NIST Chemistry Reference: (1,1-~2~H_2_)ethanamine(17616-23-8)
• EPA Substance Registry System: (1,1-~2~H_2_)ethanamine(17616-23-8)

Safety Data

• Hazardous Substances Data: 17616-23-8(Hazardous Substances Data)

Upstream product

• 121195-14-0 N-<1-2D>Ethylphthalimid 
• 75-05-8 acetonitrile 

Relevant articles and documents

Gas-Phase Chemistry of Protonated Ethylamine: A Mass Spectrometric and Molecular Orbital Study

The unimolecular dissociation of protonated ethylamine, (+), 1, has been examined by both mass spectrometric techniques and molecular orbital calculations.Metastable dissociations of various deuterated species demonstrate that the loss of ethene from 1 involves specifically a transfer of a hydrogen atom from the methyl to the NH2 group.A very limited scrambling (4percent) of the hydrogen atoms of the ethyl moiety is observed.Ab initio molecular orbital calculations have been performed at the MP4SDTQ/6-311G**//MP2/6-31G*+ZPE level of theory to examine the mechanism of the unimolecular dissociation of ions 1.It appears that 1 loses a molecule of ethene after a rate-determining isomerization into a proton-bound complex: (+), 2.The marginal hydrogen scrambling is accounted for by 1,2-H shifts on the ethyl group inside a second, loosely bonded, complex involving an ethyl cation and a molecule of ammonia: (+),3.

The Collision-Induced Dissociations of Deprotonated Amines in the Gas Phase

The major collision-induced fragmentations of deprotonated primary and secondary amines are best rationalized as proceeding through the intermediacy of ion complexes.For example, the characteristic fragmentation of deprotonated ethylamine is MeCH2NH- -> -(CH2=NH)> -> CH2N- + CH4 Secondary alkylamines behave in a similar fashion.The occurrence of proton transfer as a prelude to fragmentation is rare: the only example observed in this study is the probable reaction PhNEt ->-> PhNHCHMe -> -> -> C7H6N- + CH4 which is preceded or accompanied by proton transfer between the methylene and phenyl substituents.Deprotonated aniline undergoes specific elimination of CNH from the 1-position to form the cyclopentadienyl anion.Finally, retro reactions are observed for the piperazine anion, e.g.HN(CH2CH2)2N- -> -CH2CH2N=CH2 + CH2NH