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Key Documents

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:
Molecular Weight:
178.23
Beilstein:
5743
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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)
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)
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.
I V Zverinskiĭ et al.
Eksperimental'naia i klinicheskaia farmakologiia, 61(1), 33-36 (1998-05-12)
Intensive regeneration of cholangia and cholangioles, fibrosis, microglobular cirrhosis, vacuolar and granular dystrophy, and necrosis of hepatocytes were found in the liver of rats 36 days after ligation of the common bile duct. Lipid peroxidation was activated, the activity of

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