ChemicalBook--->CAS DataBase List--->17687-47-7

17687-47-7

17687-47-7 Structure

17687-47-7 Structure
IdentificationBack Directory
[Name]

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

17687-47-7
[Synonyms]

4-Acetyl-N-methylaniline
N-Methyl-4-acetylaniline
p-Acetyl-N-methylaniline
p-Methylaminoacetophenone
4-N-Methylaminoacetophenone
4'-(Methylamino)acetophenone
4-Acetyl-N-methylaniline 97%
N-Methyl-p-aminoacetophenone
1-[4-(methylamino)phenyl]ethanone
Ethanone, 1-[4-(methylamino)phenyl]-
4-Acetyl-n-methylaniline≥ 98%(Titration)
Ethanone, 1-[4-(methylamino)phenyl]- (9CI)
[Molecular Formula]

C9H11NO
[MDL Number]

MFCD09261160
[MOL File]

17687-47-7.mol
[Molecular Weight]

149.19
Chemical PropertiesBack Directory
[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
[form ]

Solid
[pka]

1.96±0.12(Predicted)
[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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

2
[HS Code ]

2922390090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

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