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Benzeneethanamine,3-bromo-4-methoxy-

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Name

Benzeneethanamine,3-bromo-4-methoxy-

EINECS N/A
CAS No. 159465-27-7 Density 1.385 g/cm3
PSA 35.25000 LogP 2.65920
Solubility N/A Melting Point N/A
Formula C9H12BrNO Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 230.104 Flash Point 137.4 °C
Transport Information UN 2735 8/PG 2 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 159465-27-7 (3-BROMO-4-METHOXYPHENETHYLAMINE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

3-Bromo-4-methoxyphenethylamine;2-(3-Bromo-4-methoxyphenyl)ethylamine;2-(3-Bromo-4-methoxyphenyl)ethanamine;

Article Data 4

Benzeneethanamine,3-bromo-4-methoxy- Specification

The CAS register number of Benzeneethanamine,3-bromo-4-methoxy- is 159465-27-7. It also can be called as 3-Bromo-4-methoxyphenethylamine and the systematic name about this chemical is 2-(3-bromo-4-methoxyphenyl)ethanamine. The molecular formula about this chemical is C9H12BrNO and the molecular weight is 230.1. It belongs to the following product categories which include Amines; C9 to C10; Nitrogen Compounds and so on.

Physical properties about Benzeneethanamine,3-bromo-4-methoxy- are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): -1.12; (3)ACD/LogD (pH 7.4): -0.29; (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): 1.6; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 53.7 cm3; (14)Molar Volume: 166.1 cm3; (15)Polarizability: 21.29x10-24cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.385 g/cm3; (18)Flash Point: 137.4 °C; (19)Enthalpy of Vaporization: 54.39 kJ/mol; (20)Boiling Point: 303.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00092 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and destroy living tissue on contact. It can cause burns. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1OC)CCN
(2)InChI: InChI=1/C9H12BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
(3)InChIKey: JHVALSRTUOVNLL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
(5)Std. InChIKey: JHVALSRTUOVNLL-UHFFFAOYSA-N

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