1716-60-5

The Benzeneethanamine,2-fluoro-a-methyl-, with the CAS registry number 1716-60-5, has the systematic name of 1-(2-fluorophenyl)propan-2-amine. It is also known as o-Fluoro-alpha-methylphenethylamine. And the molecular formula of this chemical is C₉H₁₂FN.

The physical properties of Benzeneethanamine,2-fluoro-a-methyl- are as following: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.07; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 43.92 cm³; (15)Molar Volume: 147 cm³; (16)Polarizability: 17.41×10^-24cm³; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 44.71 kJ/mol; (21)Boiling Point: 210.8 °C at 760 mmHg; (22)Vapour Pressure: 0.188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1CC(N)C
(2)InChI: InChI=1/C9H12FN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
(3)InChIKey: GDSXNLDTQFFIEU-UHFFFAOYAL

The toxicity data is as follows: