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M26305

Sigma-Aldrich

N-Methylacetamide

≥99%

Synonym(s):

Acetylmethylamine

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About This Item

Linear Formula:
CH3CONHCH3
CAS Number:
79-16-3
Molecular Weight:
73.09
Beilstein:
1071255
EC Number:
201-182-6
MDL number:
MFCD00008683
UNSPSC Code:
12352100
PubChem Substance ID:
24896748
NACRES:
NA.22

Assay

≥99%

refractive index

n20/D 1.433 (lit.)

bp

204-206 °C (lit.)

mp

26-28 °C (lit.)

density

0.957 g/mL at 25 °C (lit.)

SMILES string

CNC(C)=O

InChI

1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)

InChI key

OHLUUHNLEMFGTQ-UHFFFAOYSA-N

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Application

N-Methylacetamide can be used:
  • To synthesize N-methyl-N-(3-thienyl)acetamide by reacting with 3-bromothiophene in the presence of CuI catalyst and N,N′-dimethylethylenediamine.(1)
  • As a ligand to synthesize the zirconium(IV) complex, Zr(MeC(O)NMe)4 by reacting with tetrakis(dimethylamido)zirconium.(2)

Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H360D

Hazard Classifications

Repr. 1B

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

240.8 °F

Flash Point(C)

116 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Hochan Lee et al.
The journal of physical chemistry. A, 116(1), 347-357 (2011-11-18)
IR probes have been extensively used to monitor local electrostatic and solvation dynamics. Particularly, their vibrational frequencies are highly sensitive to local solvent electric field around an IR probe. Here, we show that the experimentally measured vibrational frequency shifts can
Adolfo Bastida et al.
The journal of physical chemistry. A, 114(43), 11450-11461 (2010-10-12)
Nonequilibrium molecular dynamics (MD) simulations and instantaneous normal mode (INMs) analyses are used to study the vibrational relaxation of the C-H stretching modes (ν(s)(CH₃)) of deuterated N-methylacetamide (NMAD) in aqueous (D2O) solution. The INMs are identified unequivocally in terms of
Jakub Kaminský et al.
The journal of physical chemistry. A, 115(1), 30-34 (2010-12-15)
For spectroscopic studies of peptide and protein thermal denaturation it is important to single out the contribution of the solvent to the spectral changes from those originated in the molecular structure. To obtain insights into the origin and size of
Bruno A C Horta et al.
Journal of computational chemistry, 33(24), 1907-1917 (2012-06-01)
Considering N-methylacetamide (NMA) as a model compound, new interaction parameters are developed for the amide function in the GROMOS force field that are compatible with the recently derived 53A6(OXY) parameter set for oxygen-containing chemical functions. The resulting set, referred to
Haibo Yu et al.
Journal of the American Chemical Society, 132(31), 10847-10856 (2010-08-05)
Most current biomolecular simulations are based on potential energy functions that treat the electrostatic energy as a sum of pairwise Coulombic interactions between effective fixed atomic charges. This approximation, in which many-body induced polarization effects are included in an average
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