2-AMINO-4'-METHOXYACETOPHENONE HYDROCHLORIDE

The Ethanone,2-amino-1-(4-methoxyphenyl)-, hydrochloride (1:1), with CAS registry number 3883-94-1, belongs to the following product categories: (1)Benzene series; (2)C9; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 2-amino-1-(4-methoxyphenyl)ethanone hydrochloride (1:1). This chemical is a kind of white to yellow to yellow-tan crystalline powder. And the chemical formula of this chemical is C₉H₁₂ClNO₂.

Physical properties of Ethanone,2-amino-1-(4-methoxyphenyl)-, hydrochloride (1:1): (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 46; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.32 Å²; (12)Flash Point: 162.7 °C; (13)Enthalpy of Vaporization: 60.11 kJ/mol; (14)Boiling Point: 345.4 °C at 760 mmHg; (15)Vapour Pressure: 4.36E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(4-methoxy-phenyl)-2-nitro-ethanone. This reaction will need reagent hydrogen and solvents ethanol, aq. HCl.  The reaction time is 22.5 hour(s) with reaction temperature of 50 ℃. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,2-amino-1-(4-methoxyphenyl)-, hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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.COc1ccc(cc1)C(=O)CN
(2)InChI: InChI=1/C9H11NO2.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H
(3)InChIKey: FZVYWBMMOSHMRS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H11NO2.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H
(5)Std. InChIKey: FZVYWBMMOSHMRS-UHFFFAOYSA-N