2,5-Dimethoxyphenethylamine hydrochloride

 The 2,5-Dimethoxyphenethylamine hydrochloride with the cas number 3166-74-3. It is also called 2-(2,5-dimethoxyphenyl)ethanamine hydrochloride, which is also it's IUPAC name, and it's system Names are (1) Benzeneethanamine, 2,5-dimethoxy-, hydrochloride (9CI) ; (2) Phenethylamine, 2,5-dimethoxy-, hydrochloride. It is mainly used for raw materrial (Medicines Intermediates).

Physical properties about 2,5-Dimethoxyphenethylamine hydrochloride are: (1)ACD/LogP: 1.34 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -1.73 ; (4)ACD/LogD (pH 7.4): -0.92 ; (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): 1 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 5 ; (12)Polar Surface Area: 21.7Ų ; (13)Flash Point: 138.7 °C ; (14)Enthalpy of Vaporization: 54.16 kJ/mol ; (15)Boiling Point: 301.5 °C at 760 mmHg ; (16)Vapour Pressure: 0.00105 mmHg at 25°C

Preparation of : 2,5-Dimethoxybenzaldehyde and Nitromethane (while as solvent)) with small ammonium Acetate, 85 degrees 30 min, can produce 2,5-Dimethoxy-beta-nitrostyrene (Ⅰ), yield is 90%. yield. Add 2,5-Dimethoxy-beta-nitrostyrene into ethanol hydrochloride water solution, at 70 ~ 85°C, and then reduction by adding zinc powder and a small amount of mercury to get 2,5-Dimethoxyphenethylamine hydrochloride (Ⅱ). Then add hydrochloric acid methanol solution to get the salt. Yield is up to 60%.

When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure :
(1).SMILES:Cl.O(c1ccc(OC)cc1CCN)C
(2).InChI:InChI=1/C10H15NO2.ClH/c1-12-9-3-4-10(13-2)8(7-9)5-6-11;/h3-4,7H,5-6,11H2,1-2H3;1H

The toxicity data is as follows: