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00090

Sigma-Aldrich

Acetaldehyde ammonia trimer

≥96.0% (NT)

Synonym(s):

Hexahydro-2,4,6-trimethyl-1,3,5-triazine trihydrate

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About This Item

Empirical Formula (Hill Notation):
C6H15N3 · 3H2O
CAS Number:
Molecular Weight:
183.25
Beilstein:
3910586
EC Number:
MDL number:
UNSPSC Code:
12352301
eCl@ss:
39021102
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥96.0% (NT)

form

powder

mp

95-97 °C

storage temp.

2-8°C

SMILES string

O.O.O.CC1NC(C)NC(C)N1

InChI

1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2

InChI key

VNJBGAOFYNEMRG-UHFFFAOYSA-N

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Application

Acetaldehyde ammonia trimer is a reagent used in the synthesis of amines by hydrogenation and as a precursor to the production of ammonia. It can also be used as an organic building block in the synthesis of 1,2-dihydro-1,3-dimethyl-3H-naphth[1.2-e]-m-oxazine by condensing with 2-naphthol.

Other Notes

Structure

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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pH effects in the acetaldehyde-ammonia reaction.
Moioli, Emanuele et al.
Reaction Chemistry & Engineering, 2(3), 382-389 (2017)
Condensation of 2-naphthol with acetaldehyde ammonia.
Burke, William J and Reynolds, Richard J
Journal of the American Chemical Society, 76(5), 1291-1293 (1954)
A.T. Nielson et al.
The Journal of Organic Chemistry, 38, 3288-3288 (1973)
Einar Wang Lund
Acta Chemica Scandinavica, 12, 1768-1776 (1958)
Thomas C Keane
Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life, 47(3), 223-248 (2017-08-10)
Laboratory studies provide a fundamental understanding of photochemical processes in planetary atmospheres. Photochemical reactions taking place on giant planets like Jupiter and possibly comets and the interstellar medium are the subject of this research. Reaction pathways are proposed for the

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