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1189805-46-6

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Basic Information
CAS No.: 1189805-46-6
Name: 2-(Methylamino)-1-(4-methylphenyl)-1-propanone
Article Data: 5
Molecular Structure:
Molecular Structure of 1189805-46-6 (2-(Methylamino)-1-(4-methylphenyl)-1-propanone)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: mephedrone;
Density: 0.987 g/cm3
Melting Point: 232℃
Boiling Point: 280.2 °C at 760 mmHg
Flash Point: 109.6 °C
PSA: 29.10000
LogP: 2.17650
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Specification

The 2-(Methylamino)-1-(4-methylphenyl)-1-propanone is an organic compound with the formula C11H15NO. The systematic name of this chemical is 2-(methylamino)-1-(p-tolyl)propan-1-one. With the CAS registry number 1189805-46-6, it is also named as 4-Methylmethcathinone.

Physical properties about 2-(Methylamino)-1-(4-methylphenyl)-1-propanone are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 7.4): 1.55; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.1 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 53.92 cm3; (9)Molar Volume: 179.4 cm3; (10)Polarizability: 21.37×10-24cm3; (11)Surface Tension: 34.5 dyne/cm; (12)Density: 0.987 g/cm3; (13)Flash Point: 109.6 °C; (14)Enthalpy of Vaporization: 51.89 kJ/mol; (15)Boiling Point: 280.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00384 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C(=O)C(C)NC
(2)InChI: InChI=1/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
(3)InChIKey: YELGFTGWJGBAQU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
(5)Std. InChIKey: YELGFTGWJGBAQU-UHFFFAOYSA-N