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43230-11-1

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Basic Information
CAS No.: 43230-11-1
Name: Ethanone, 1-(4-amino-3-methylphenyl)- (9CI)
Article Data: 14
Molecular Structure:
Molecular Structure of 43230-11-1 (Ethanone, 1-(4-amino-3-methylphenyl)- (9CI))
Formula: C9H11NO
Molecular Weight: 149.192
Synonyms: Acetophenone,4'-amino-3'-methyl- (6CI,7CI);1-(4-Amino-3-methylphenyl)ethanone;4-Acetyl-2-methylaniline;
Density: 1.069 g/cm3
Boiling Point: 310.9 °C at 760 mmHg
Flash Point: 141.8 °C
PSA: 43.09000
LogP: 2.36100
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Specification

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%.

Ethanone,1-(4-amino-3-methylphenyl)- can be obtained by N-o-Tolyl-acetamide

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%.

Ethanone,1-(4-amino-3-methylphenyl)- is used to produce 4'-Amino-3'-bromo-5'-methyl-acetophenone

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