Ethanone, 1-(4-amino-3-methylphenyl)- (9CI)

The Ethanone,1-(4-amino-3-methylphenyl)-, with the CAS registry number 43230-11-1, is also known as 4-Acetyl-2-methylaniline. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₉H₁₁NO and molecular weight is 149.18974. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Amino-3-methylphenyl)ethanone.

Physical properties about Ethanone,1-(4-amino-3-methylphenyl)-: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.7; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 70.82; (8)ACD/KOC (pH 7.4): 70.85; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 45.34 cm³; (15)Molar Volume: 139.5 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.069 g/cm³; (18)Flash Point: 141.8 °C; (19)Enthalpy of Vaporization: 55.17 kJ/mol; (20)Boiling Point: 310.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000584 mmHg at 25 °C.

Preparation of Ethanone,1-(4-amino-3-methylphenyl)-: it can be obtained by N-o-Tolyl-acetamide. The reaction occurs with reagent ZrOCl₂ at temperature of 160 - 180°C for 30 minutes. The yield is 82%.

Uses of Ethanone,1-(4-amino-3-methylphenyl)-: it is used to produce 4'-Amino-3'-bromo-5'-methyl-acetophenone. The reaction occurs with reagent Br₂ and solvent aq. acetic acid. The yield is 88.6%.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1N)C(C)=O
(2) InChI: InChI=1/C9H11NO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,10H2,1-2H3
(3) InChIKey: NGOTZSLPEOKQGQ-UHFFFAOYAO