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About This Item
Empirical Formula (Hill Notation):
C6H6N2O
CAS Number:
Molecular Weight:
122.12
EC Number:
215-926-2
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
2173
MDL number:
Product Name
Isonicotinamide, Vetec™, reagent grade, 98%
InChI key
VFQXVTODMYMSMJ-UHFFFAOYSA-N
InChI
1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
SMILES string
NC(=O)c1ccncc1
grade
reagent grade
product line
Vetec™
assay
98%
mp
155-157 °C (lit.)
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Legal Information
Vetec is a trademark of Merck KGaA, Darmstadt, Germany
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Sarah Boyd et al.
Journal of pharmaceutical sciences, 99(9), 3779-3786 (2010-07-29)
The solubility and crystal growth of the 1:1 cocrystal between benzoic acid and isonicotinamide from 95% ethanol was studied through the creation of a ternary phase diagram at differing temperatures and turbidity measurements. From the solubility measurements thermodynamic properties of
Jemma Senczyszyn et al.
Organic letters, 15(8), 1922-1925 (2013-04-04)
On treatment with acylating or sulfonylating agents, N-alkenyl pyridine carboxamides (N-pyridinecarbonyl enamines) undergo a dearomatizing cyclization initiated by pyridine acylation and followed by intramolecular trapping of the resulting pyridinium cation. The products are spirocyclic dihydropyridines which may be further elaborated
Rodrigo A de Souza et al.
European journal of medicinal chemistry, 45(11), 4863-4868 (2010-08-21)
Complexes of the type trans-[PdX(2)(isn)(2)] {X = Cl (1), N(3) (2), SCN (3), NCO (4); isn = isonicotinamide} were synthesized and evaluated for in vitro antimycobacterial and antitumor activities. The coordination mode of the isonicotinamide and the pseudohalide ligands was
Gareth Arnott et al.
Organic letters, 10(14), 3089-3092 (2008-06-17)
Treatment of N-arylisonicotinamides with trifluoromethanesulfonic anhydride triggers intramolecular nucleophilic attack of the aryl ring on the 4-position of the pyridinium intermediate. The products are spirocyclic dihydropyridines which can be converted to valuable spirocyclic piperidines related to biologically active molecules such
Shaun R Stauffer et al.
Bioorganic & medicinal chemistry letters, 17(6), 1788-1792 (2007-01-30)
A series of low-molecular weight 2,6-diamino-isonicotinamide BACE-1 inhibitors containing an amine transition-state isostere were synthesized and shown to be highly potent in both enzymatic and cell-based assays. These inhibitors contain a trans-S,S-methyl cyclopropane P(3) which bind BACE-1 in a 10s-loop
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