Acetaldehyde ammonia trimer

Source: Wikipedia, the free encyclopedia.
Acetaldehyde ammonia trimer
Names
Preferred IUPAC name
2,4,6-Trimethyl-1,3,5-triazinane
Identifiers
3D model (
JSmol
)
ChemSpider
ECHA InfoCard
 100.201.766 Edit this at Wikidata
EC Number
  • 211-321-2
  • InChI=1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3 checkY
    Key: MZSSRMMSFLVKPK-UHFFFAOYSA-N checkY
  • InChI=1/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3
    Key: MZSSRMMSFLVKPK-UHFFFAOYAJ
  • N1C(NC(NC1C)C)C
Properties
C6H15N3
Molar mass 129.207 g·mol−1
Appearance Colorless crystals
Melting point 95 to 97 °C (203 to 207 °F; 368 to 370 K)
Solubility polar organic solvents
Hazards
GHS labelling:[1]
GHS07: Exclamation mark
H315, H319, H335
P261, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Acetaldehyde ammonia trimer is a

hygroscopic, and can be found in a trihydrate
form.

As implied by its name, it is a trimeric species formed from the reaction of acetaldehyde and ammonia:

3 CH3CHO + 3 NH3 → (CH3CHNH)3 + 3 H2O

Studies using

NMR spectroscopy indicate that the three methyl groups are equatorial, thus the molecule has C3v point group symmetry.[2]

The compound is related to hexamethylenetetramine, which is the condensation product of ammonia and formaldehyde.

References

  1. ^ GHS: PubChem 69486
  2. doi:10.1021/jo00959a010
    .

External links
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