Benzeneethanamine,2-chloro-3,4-dimethoxy- (67287-36-9)

The 2-Chloro-3,4-dimethoxyphenethylamine is an organic compound with the formula C₁₀H₁₄ClNO₂. The IUPAC name of this chemical is 2-(2-chloro-3,4-dimethoxyphenyl)ethanamine. With the CAS registry number 67287-36-9, it is also named as benzeneethanamine, 2-chloro-3,4-dimethoxy-.

Physical properties about 2-Chloro-3,4-dimethoxyphenethylamine are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): -1.06; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.27; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7 Å²; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 57.58 cm³; (14)Molar Volume: 185.8 cm³; (15)Polarizability: 22.83×10^-24cm³; (16)Surface Tension: 38.1 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 139.9 °C; (19)Enthalpy of Vaporization: 54.83 kJ/mol; (20)Boiling Point: 307.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000712 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(ccc(OC)c1OC)CCN
(2)InChI: InChI=1/C10H14ClNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5-6,12H2,1-2H3
(3)InChIKey: YTKGUKHQYUHYTQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H14ClNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5-6,12H2,1-2H3
(5)Std. InChIKey: YTKGUKHQYUHYTQ-UHFFFAOYSA-N