Benzeneethanamine, b-(1-methylethyl)-, (bS)- (106498-32-2)

The (S)-3-Methyl-2-phenylbutylamine is an organic compound with the formula C₁₁H₁₇N. With the CAS registry number 106498-32-2, the systematic name of this chemical is 3-methyl-2-phenylbutan-1-amine.

Physical properties about (S)-3-Methyl-2-phenylbutylamine are: (1)ACD/LogP: 2.65; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 26.02 Å²; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 53.197 cm³; (12)Molar Volume: 176.573 cm³; (13)Polarizability: 21.089×10^-24cm³; (14)Surface Tension: 34.619 dyne/cm; (15)Density: 0.925 g/cm³; (16)Flash Point: 99.083 °C; (17)Enthalpy of Vaporization: 47.307 kJ/mol; (18)Boiling Point: 236.278 °C at 760 mmHg; (19)Vapour Pressure: 0.048 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCC(c1ccccc1)C(C)C
(2)InChI: InChI=1/C11H17N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
(3)InChIKey: VDMAQVANUGNDOM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H17N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
(5)Std. InChIKey: VDMAQVANUGNDOM-UHFFFAOYSA-N