Acetaldehyde ammonia trimer

Names
Preferred IUPAC name

2,4,6-Trimethyl-1,3,5-triazinane

Identifiers

CAS Number

* 58052-80-5 N
* 638-14-2

3D model (JSmol)

* Interactive image

ChemSpider |

* 62692 Y

EC Number |

* 211-321-2

PubChem CID

* 69486

InChI

* InChI=1S/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3 Y

Key: MZSSRMMSFLVKPK-UHFFFAOYSA-N Y

* 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 pictograms |

GHS hazard statements

| Template:HPhrases

GHS precautionary statements

| Template:PPhrases

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

N verify (what is YN ?)
Infobox references

Tracking categories (test):

* SizeSet

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 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. ↑ 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

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*[CID]: Compound ID