2-(1-Cyclohexenyl)ethylamine - CAS 3399-73-3

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Category
Main Product
Product Name
2-(1-Cyclohexenyl)ethylamine
Catalog Number
3399-73-3
Synonyms
2-(1-Cyclohexenyl)ethylamine;3399-73-3;1-Cyclohexene-1-ethanamine;2-(cyclohex-1-en-1-yl)ethanamine;Cyclohexenylethylamine;1-Cyclohexen-1-ylethylamine
CAS Number
3399-73-3
Molecular Weight
125.214
Molecular Formula
C8H15N
COA
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MSDS
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Canonical SMILES
C1CCC(=CC1)CCN
InChI
InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
InChIKey
IUDMXOOVKMKODN-UHFFFAOYSA-N
Structure
CAS 3399-73-3 2-(1-Cyclohexenyl)ethylamine
Specification
Purity
95%
Boiling Point
53-54ºC (2.5 mmHg)
Melting Point
-55ºC
Density
0.9
Appearance
clear slightly yellow liquid
Related Products
Reference Reading
1.Vibrational spectroscopic study on some Hofmann type clathrates: M(2-(1-cyclohexenyl)ethylamine)2Ni(CN)4·2benzene (M=Ni and Cd).
Izgi T1, Parlak C, Senyel M. Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jul;79(2):308-11. doi: 10.1016/j.saa.2010.12.044. Epub 2010 Dec 22.
New Hofmann type benzene clathrates in the form of M(CyHEA)2Ni(CN)4·2benzene (where CyHEA=2-(1-cyclohexenyl)ethylamine and M=Ni or Cd) have been prepared in powder form and FT-IR and Raman spectra have been reported. The results suggest that title compounds are similar in structure to Hofmann type clathrates and their structures consist of polymeric layers of |M-Ni(CN)4|∞ with the CyHEA molecule bounded to the metal atoms (M).
2.FT-IR and NMR investigation of 2-(1-cyclohexenyl)ethylamine: a combined experimental and theoretical study.
Izgi T1, Alver O, Parlak C, Aytekin MT, Senyel M. Spectrochim Acta A Mol Biomol Spectrosc. 2007 Sep;68(1):55-62. Epub 2006 Nov 6.
FT-IR and (1)H, (13)C, DEPT, HETCOR, COSY, and NOESY NMR spectra of 2-(1-cyclohexenyl)ethylamine (CyHEA) have been reported for the first time. The vibrational frequencies and (1)H, (13)C NMR chemical shifts of CyHEA (C(8)H(15)N) have been calculated by means of the Hartree-Fock (HF), Becke-Lee-Yang-Parr (BLYP) and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-31 G(d) and 6-31 G(d,p) basis sets, respectively. The comparison between the experimental and the theoretical results indicates that density functional B3LYP method is superior to the scaled HF and BLYP approach for vibrational frequencies and predicting NMR properties.
3.Vibrational spectroscopic investigations of some Hofmann-T(d)-type complexes: Ni(2-(1-cyclohexenyl)ethylamine)(2)M(CN)(4) (M=Cd or Hg).
Izgi T1, Parlak C, Senyel M. Spectrochim Acta A Mol Biomol Spectrosc. 2010 Sep 1;76(5):435-8. doi: 10.1016/j.saa.2009.10.043. Epub 2009 Oct 31.
New Hofmann-T(d)- type complexes in the form of Ni(CyHEA)(2)M(CN)(4) (where CyHEA=2-(1-cyclohexenyl)ethylamine and M=Cd or Hg) have been prepared in powder form and their infrared (4000-100cm(-1)) and Raman (2800-1650cm(-1)) spectra have been reported. The thermal behaviour of these complexes has been investigated by differential thermal analysis (DTA) and thermo-gravimetric analysis (TGA). The results suggest that these compounds are similar in structure to the Hofmann-T(d)-type complexes.
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