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186028-79-5

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Basic Information
CAS No.: 186028-79-5
Name: 2-Methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 186028-79-5 (2-Methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one)
Formula: C11H13NO3
Molecular Weight: 207.229
Synonyms: 1-Propanone,1-(1,3-benzodioxol-5-yl)-2-(methylamino)-;Methylone;
Density: 1.188 g/cm3
Melting Point: 83-85°C
Boiling Point: 350.1 °C at 760 mmHg
Flash Point: 165.5 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 47.56000
LogP: 1.59680
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Specification

Methylone with its cas register number 186028-79-5 also known as 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)propan-1-one; 1-propanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)- ; 3,4-methylenedioxymethcathinone; "M1"; bk-MDMA; is an entactogen and stimulant of the phenethylamine, amphetamine, and cathinone classes. 2-Methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one  is a close structural analogue of MDMA, differing by the addition of a β-ketone group. It is a ketone analogue of MDMA (Ecstasy). It has an almost antidepressant action, pleasant and positive, but not the unique magic of MDMA.

Physical properties about Methylone are: (1)ACD/LogP: 0.807; (2)ACD/LogD (pH 5.5): -1.38; (3)ACD/LogD (pH 7.4):  0.31; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 20.60; (8)#H bond acceptors: 4 ; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 55.261 cm3; (13)Molar Volume: 174.348 cm3; (14)Polarizability: 21.907 10-24cm3; (15)Surface Tension: 45.4659996032715; (16)dyne/cm Density: 1.189 g/cm3; (17)Flash Point: 165.532 °C; (18)Enthalpy of Vaporization: 59.466 kJ/mol; (19)Boiling Point: 350.095 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Ues of Methylone: Methylone is used to treat pain and swelling that occurs with arthritis and other joint disorders. This medication may also be used to treat various conditions such as blood disorders, severe allergic reactions, certain cancers, eye conditions, skin/intestinal/kidney/lung diseases, and immune system disorders. It decreases your immune system's response to these conditions and reduces symptoms such as swelling, pain, and allergic-type reactions. Methylprednisolone is a corticosteroid hormone. Methylone may also be used with other medications in hormone disorders.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3;
(2)InChIKey=VKEQBMCRQDSRET-UHFFFAOYSA-N;
(3)Smiles=CC(C(=O)c1ccc2c(c1)OCO2)NC;