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2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride

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Name

2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride

EINECS 200-659-6
CAS No. 17762-90-2 Density N/A
PSA 47.56000 LogP 2.78890
Solubility N/A Melting Point 223-228°C
Formula C12H15NO3.ClH Boiling Point 391.1 °C at 760 mmHg
Molecular Weight 257.717 Flash Point 190.3 °C
Transport Information N/A Appearance White crystal
Safety 26-45-36/37-16-7 Risk Codes 36/37/38-39/23/24/25-23/24/25-11
Molecular Structure Molecular Structure of 17762-90-2 (2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride) Hazard Symbols Xi,T,F
Synonyms

Butyrophenone,2-(methylamino)-3',4'-(methylenedioxy)-, hydrochloride (8CI);

 

2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride Specification

The Butylone, with the CAS registry number 17762-90-2, is also known as beta-Keto-N-methylbenzodioxolylpropylamine. This chemical's molecular formula is C12H15NO3.ClH and molecular weight is 257.71. Its systematic name is called 1-(1,3-benzodioxol-5-yl)-2-(methylamino)butan-1-one hydrochloride.

Physical properties of Butylone: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 7.4): 0.84; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.93; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 40.08; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Flash Point: 190.3 °C; (11)Enthalpy of Vaporization: 65.32 kJ/mol; (12)Boiling Point: 391.1 °C at 760 mmHg; (13)Vapour Pressure: 1.68E-06 mmHg at 25°C.

Butylone is an entactogen, psychedelic, and stimulant of the phenethylamine chemical class. It is the β-keto analogue of MBDB. Butylone shares the same relationship to MBDB as methylone does to MDMA ("Ecstasy").

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCC(NC)C(=O)c1ccc2OCOc2c1
(2)InChI: InChI=1/C12H15NO3.ClH/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10;/h4-6,9,13H,3,7H2,1-2H3;1H
(3)InChIKey: KCJFEZQEDOBEOT-UHFFFAOYAB

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