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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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Journal of the American Chemical Society, 76(5), 1291-1293 (1954)

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