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Key Documents

M26305

Sigma-Aldrich

N-Methylacetamide

≥99%

Sinonimo/i:

Acetylmethylamine

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About This Item

Formula condensata:
CH3CONHCH3
Numero CAS:
Peso molecolare:
73.09
Beilstein:
1071255
Numero CE:
Numero MDL:
Codice UNSPSC:
12352100
ID PubChem:
NACRES:
NA.22

Saggio

≥99%

Indice di rifrazione

n20/D 1.433 (lit.)

P. eboll.

204-206 °C (lit.)

Punto di fusione

26-28 °C (lit.)

Densità

0.957 g/mL at 25 °C (lit.)

Stringa SMILE

CNC(C)=O

InChI

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

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Applicazioni

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)

Pittogrammi

Health hazard

Avvertenze

Danger

Indicazioni di pericolo

Classi di pericolo

Repr. 1B

Codice della classe di stoccaggio

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

Classe di pericolosità dell'acqua (WGK)

WGK 1

Punto d’infiammabilità (°F)

240.8 °F

Punto d’infiammabilità (°C)

116 °C

Dispositivi di protezione individuale

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges


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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
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
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
M Albertí et al.
Physical chemistry chemical physics : PCCP, 13(18), 8422-8432 (2011-02-19)
A recently formulated intermolecular potential has been adapted to describe the interaction of the N-methylacetamide (NMA) dimer and of the NMA-H(2)O adduct. The pure electrostatic component of the intermolecular potential functional representation is as usual expressed in terms of a

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