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| CAS No.: | 17762-90-2 |
|---|---|
| Name: | 2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride |
| Molecular Structure: | |
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| Formula: | C12H15NO3.ClH |
| Molecular Weight: | 257.717 |
| Synonyms: | Butyrophenone,2-(methylamino)-3',4'-(methylenedioxy)-, hydrochloride (8CI); |
| EINECS: | 200-659-6 |
| Melting Point: | 223-228°C |
| Boiling Point: | 391.1 °C at 760 mmHg |
| Flash Point: | 190.3 °C |
| Appearance: | White crystal |
| Hazard Symbols: | Xi,T,F |
| Risk Codes: | 36/37/38-39/23/24/25-23/24/25-11 |
| Safety: | 26-45-36/37-16-7 |
| PSA: | 47.56000 |
| LogP: | 2.78890 |
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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