Ethanone, 1-[4-(methylamino)phenyl]- (9CI) Chemical Properties

Melting point:

103-107 °C

Boiling point:

281.7±23.0 °C(Predicted)

Density 

1.062±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

1.96±0.12(Predicted)

form 

Solid

color 

White to pale brown

InChI

InChI=1S/C9H11NO/c1-7(11)8-3-5-9(10-2)6-4-8/h3-6,10H,1-2H3

InChIKey

GDBAYICEBDZUNM-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC=C(NC)C=C1)C

Safety Information

Hazard Codes 

Xi

Risk Statements 

43

Safety Statements 

36/37

WGK Germany 

2

HS Code 

2922390090

Ethanone, 1-[4-(methylamino)phenyl]- (9CI) Usage And Synthesis

Chemical Properties

White to tan solid

Uses

4-Acetyl-N-methylaniline-13C,d3 (1-(4-(Methylamino)phenyl)ethanone-13C,d3) is a 13C and deuterated isotope of 4-Acetyl-N-methylaniline. Compounds labeled with stable or radioactive isotopes can be used in metabolic analysis, allowing the movement of individual atoms to be precisely tracked and quantified[1].

Purification Methods

This herbicide crystallises from H2O. The 4-acetyl-N,N-dimethylaniline derivative forms colourless plates also from H2O with m 58-59o. [Klingel Chem Ber 18 2694 1885, Staudinger & Kon Justus Liebigs Ann Chem 384 111 1911, Beilstein 14 H 47, 14 I 366.]

References

[1] Russak, et sl. Impact of deuterium substitution on the pharmacokinetics of pharmaceuticals. Annals of Pharmacotherapy 53.2 (2019): 211-236. DOI:10.1080/09593330.2018.1515990

Ethanone, 1-[4-(methylamino)phenyl]- (9CI)(17687-47-7)Related Product Information

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• AKOS BBS-00004713