1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1) supplier

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Name
(+/-)-2-(METHYLAMINO)PROPIOPHENONE HYDROCHLORIDE
EINECS 227-092-7
CAS No. 49656-78-2
Article Data1
CAS DataBase
Density 0.984 g/cm³
Solubility
Melting Point 179-184°C
Formula C₁₀H₁₄ClNO
Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 199.68
Flash Point 158.6 °C
Transport Information UN 1230 3
Appearance
Safety 7-16-36/37-45-36-26
Risk Codes 11-23/24/25-39/23/24/25-36/37/38
Molecular Structure
Hazard Symbols F；T；Xi
Synonyms 1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (9CI);1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride, (?à)-;dl-Ephedrone hydrochloride;
PSA 29.10000
LogP 2.67010

1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1) 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

Product Name

(+/-)-2-(METHYLAMINO)PROPIOPHENONE HYDROCHLORIDE

1-Propanone,2-(methylamino)-1-phenyl-, hydrochloride (1:1) Specification

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