5-BROMO-2-METHOXYPHENETHYLAMINE HYDROBROMIDE

The Benzeneethanamine,5-bromo-2-methoxy-, hydrobromide (1:1), with CAS registry number 206559-44-6, belongs to the following product categories: (1)Amine Salts; (2)Nitrogen Compounds; (3)Organic Building Blocks. It has the systematic name of 2-(5-bromo-2-methoxyphenyl)ethanaminium bromide. And the chemical formula of this chemical is C₉H₁₃Br₂NO.

Physical properties of Benzeneethanamine,5-bromo-2-methoxy-, hydrobromide (1:1): (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 0.17; (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): 2.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Flash Point: 133.3 °C; (14)Enthalpy of Vaporization: 53.67 kJ/mol; (15)Boiling Point: 296.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0014 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzeneethanamine,5-bromo-2-methoxy-, hydrobromide (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: [Br-].Brc1cc(c(OC)cc1)CC[NH3+]
(2)InChI: InChI=1/C9H12BrNO.BrH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
(3)InChIKey: NWMRUSBUYMGDSC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H12BrNO.BrH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
(5)Std. InChIKey: NWMRUSBUYMGDSC-UHFFFAOYSA-N