49656-78-2

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