Acetaldehyde ammonia trimer

Acetaldehyde ammonia trimer
Names
	Preferred IUPAC name 2,4,6-Trimethyl-1,3,5-triazinane
Identifiers
CAS Number	58052-80-5 ; 638-14-2;
3D model (JSmol)	Interactive image;
ChemSpider	62692 ;
ECHA InfoCard	100.201.766
EC Number	211-321-2;
PubChem CID	69486;
CompTox Dashboard (EPA)	DTXSID30980366 ;
	InChI InChI=1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3 Key: MZSSRMMSFLVKPK-UHFFFAOYSA-N ; InChI=1/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3 Key: MZSSRMMSFLVKPK-UHFFFAOYAJ;
	SMILES N1C(NC(NC1C)C)C;
Properties
Chemical formula	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:
Pictograms
Hazard statements	H315, H319, H335
Precautionary statements	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). verify (what is ?) Infobox references

Acetaldehyde ammonia trimer is a chemical compound described by the formula (CH₃CHNH)₃. The pure material is colourless but samples often appear light yellow or slightly beige due to the degradation by oxidation. It is 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 C_3v point group symmetry.^[2]

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

References

^ GHS: PubChem 69486
^ Nielsen, A. T.; Atkins, R. L.; Moore, D. W.; Scott, R.; Mallory, D.; LaBerge, J. M. (1973). "Structure and Chemistry of the Aldehyde Ammonias. 1-Amino-1-alkanols, 2,4,6-Trialkyl-1,3,5-hexahydrotriazines, and N,N-Dialkylidene-1,1-Diaminoalkanes". Journal of Organic Chemistry. 38 (19): 3288–3295. doi:10.1021/jo00959a010.

External links

Material safety data sheet

[1] GHS: PubChem 69486

[2] Nielsen, A. T.; Atkins, R. L.; Moore, D. W.; Scott, R.; Mallory, D.; LaBerge, J. M. (1973). "Structure and Chemistry of the Aldehyde Ammonias. 1-Amino-1-alkanols, 2,4,6-Trialkyl-1,3,5-hexahydrotriazines, and N,N-Dialkylidene-1,1-Diaminoalkanes". Journal of Organic Chemistry. 38 (19): 3288–3295. doi:10.1021/jo00959a010.

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