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Merck
CN

00090

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:
58052-80-5
Molecular Weight:
183.25
NACRES:
NA.22
PubChem Substance ID:
329747002
eCl@ss:
39021102
UNSPSC Code:
12352301
EC Number:
200-868-2
MDL number:
MFCD00149559
Beilstein/REAXYS Number:
3910586

Key Documents

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Product Name

Acetaldehyde ammonia trimer, ≥96.0% (NT)

InChI key

VNJBGAOFYNEMRG-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

≥96.0% (NT)

form

powder

mp

95-97 °C

storage temp.

2-8°C

Quality Level

100

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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
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN5788
BCCM4356
BCCK6143
BCCJ8711
BCCK6221

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Einar Wang Lund
Acta Chemica Scandinavica, 12, 1768-1776 (1958)
A.T. Nielson et al.
The Journal of Organic Chemistry, 38, 3288-3288 (1973)
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)
Catarina S Silva et al.
Biomacromolecules, 21(12), 4771-4780 (2020-11-26)
Thymic epithelial cells (TECs) are the main regulators of T lymphocyte development and selection, requiring a three-dimensional (3D) environment to properly perform these biological functions. The aim of this work was to develop a 3D culture substrate that allows the
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