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D98807

Sigma-Aldrich

N,N-Diethylnicotinamide

99%

Synonym(s):

DENC, Nicotinic acid diethylamide, ‘Nikethamide’

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About This Item

Empirical Formula (Hill Notation):
C10H14N2O
CAS Number:
59-26-7
Molecular Weight:
178.23
Beilstein/REAXYS Number:
5743
EC Number:
200-418-5
MDL number:
MFCD00006386
UNSPSC Code:
12352100
PubChem Substance ID:
24894117
NACRES:
NA.22

Quality Level

200

assay

99%

form

liquid

refractive index

n20/D 1.524 (lit.)

bp

296-300 °C (lit.)

mp

23 °C (lit.)

density

1.06 g/mL at 25 °C (lit.)

SMILES string

CCN(CC)C(=O)c1cccnc1

InChI

1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

InChI key

NCYVXEGFNDZQCU-UHFFFAOYSA-N

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Application

N,N-Diethylnicotinamide (DENC) is commonly used as a ligand to prepare tetranuclear copper complexes.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Transmetalation reactions of tetranuclear copper (II) complexes. 2. Stoichiometry and products of reaction of [(DENC) CuCl] 4O2,[(DENC) CuCl] 4 (CO3) 2,[(DENC) CuCl] 4Cl4, and (DENC) 4Cu4Cl6O (DENC= N, N-diethylnicotinamide) with Ni (NS) 2, the kinetics of product isomerization in aprotic solvents, and inhibition of copper-catalyzed phenolic. oxidativecoupling by dioxygen through transmetalation.
El-Toukhy A, et al.
Journal of the American Chemical Society, 106(16), 4596-4605 (1984)
Synthesis, structure and properties of the tetranuclear complexes [(DENC) CuX] 4 (DENC= N, N-diethylnicotinamide; X= Cl, Br, I) and the kinetics of oxidation of the chloride and bromide by dioxygen in aprotic solvents.
Churchill M R, et al.
Inorganic Chemistry, 21(3), 995-1001 (1982)
Synthesis and properties of mixed-valence copper molecules (. mu.-Y) N4CuII2CUI2X4 (N= N, N-diethylnicotinamide; Y= 3, 4, 5, 6-tetrachlorocatecholate; X= Cl, Br, I) and the products and kinetics of their reactions with dioxygen and nitrobenzene.
El-Sayed M A and Davies G
Inorganic Chemistry, 29(24), 4891-4897 (1990)
Tooru Ooya et al.
Journal of controlled release : official journal of the Controlled Release Society, 93(2), 121-127 (2003-11-26)
New methods and pharmaceutical compositions were developed to increase the aqueous solubility of paclitaxel (PTX), a poorly water-soluble drug. Graft and star-shaped graft polymers consisting of poly(ethylene glycol) (PEG400) graft chains increased the PTX solubility in water by three orders
Viorica Lopez-Avila et al.
Rapid communications in mass spectrometry : RCM, 26(23), 2714-2724 (2012-11-06)
The aim of this study was to investigate the mass spectral fragmentation of a small set of stimulants in a high-resolution time-of-flight mass spectrometer equipped with a soft ionization source using vacuum ultraviolet (VUV) photons emitted from different plasma gases.
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