879669-95-1

The α-Methylamino-valerophenone, hydrochloride, with the CAS registry number 879669-95-1, is also known as 2-(Methylamino)-1-phenylpentan-1-one, hydrochloride. This chemical's molecular formula is C₁₂H₁₇NO·HCl and molecular weight is 191.27. What's more, its systematic name is 1-Phenyl-2-(methylamino)pentan-1-one, hydrochloride. It is a designer drug with presumably stimulant effects, which has been found since 2010 as an ingredient in a number of "bath salt" mixes sold as legal highs.

Physical properties of α-Methylamino-valerophenone, hydrochloride are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.752; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 26.295; (7)ACD/KOC (pH 5.5): 10.194; (8)ACD/KOC (pH 7.4): 313.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 58.366 cm³; (15)Molar Volume: 196.184 cm³; (16)Polarizability: 23.138×10^-24cm³; (17)Surface Tension: 34.93 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 107.223 °C; (20)Enthalpy of Vaporization: 52.867 kJ/mol; (21)Boiling Point: 289.371 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC(C(=O)c1ccccc1)NC
(2)Std. InChI: InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
(3)Std. InChIKey: WLIWIUNEJRETFX-UHFFFAOYSA-N