Acetaldehyde ammonia trimer

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
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 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 labelling:[1]
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). N verify (what is YN ?) 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.

• Material safety data sheet