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| CAS No.: | 49656-78-2 |
|---|---|
| Name: | (+/-)-2-(METHYLAMINO)PROPIOPHENONE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C10H14ClNO |
| Molecular Weight: | 199.68 |
| Synonyms: | 1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (9CI);1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride, (?à)-;dl-Ephedrone hydrochloride; |
| EINECS: | 227-092-7 |
| Density: | 0.984 g/cm3 |
| Melting Point: | 179-184°C |
| Boiling Point: | 318.7 °C at 760 mmHg |
| Flash Point: | 158.6 °C |
| Hazard Symbols: |
 F； T； Xi
|
| Risk Codes: | 11-23/24/25-39/23/24/25-36/37/38 |
| Safety: | 7-16-36/37-45-36-26 |
| Transport Information: | UN 1230 3 |
| PSA: | 29.10000 |
| LogP: | 2.67010 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The 1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1), with the CAS registry number 49656-78-2, has the systematic name of 2-(methylamino)-1-phenylpropan-1-one hydrochloride (1:1). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H14ClNO. What's more, it should be stored at 2-8°C.
The characteristics of 1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.37; (6)ACD/KOC (pH 5.5): 3.17; (7)ACD/KOC (pH 7.4): 88.31; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31 Å2; (12)Flash Point: 102.5 °C; (13)Enthalpy of Vaporization: 49.23 kJ/mol; (14)Boiling Point: 254.8 °C at 760 mmHg; (15)Vapour Pressure: 0.0169 mmHg at 25°C.
Uses of 1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1): It can react with thiocyanic acid; potassium salt to produce 1,3-dihydro-1,5-dimethyl-4-phenyl-2H-imidazole-2-thione. This reaction will need reagent H2O. The reaction time is 7 hours with temperature of 90°C, and the yield is about 42%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
(2)InChI: InChI=1/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
(3)InChIKey: ULVHAZFBJJXIDO-UHFFFAOYAH