The 2-Pyrazinamine,5-bromo-3-ethoxy-, with the CAS registry number 77112-66-4, has the systematic name of 5-bromo-3-ethoxypyrazin-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H8BrN3O.
The characteristics of 2-Pyrazinamine,5-bromo-3-ethoxy- are as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 256.46; (6)ACD/BCF (pH 7.4): 256.47; (7)ACD/KOC (pH 5.5): 1844.96; (8)ACD/KOC (pH 7.4): 1844.97; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 45.67 cm3; (15)Molar Volume: 134.8 cm3; (16)Polarizability: 18.1×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.616 g/cm3; (19)Flash Point: 120.7 °C; (20)Enthalpy of Vaporization: 51.44 kJ/mol; (21)Boiling Point: 276 °C at 760 mmHg; (22)Vapour Pressure: 0.00494 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1ncc(Br)nc1OCC
(2)InChI: InChI=1/C6H8BrN3O/c1-2-11-6-5(8)9-3-4(7)10-6/h3H,2H2,1H3,(H2,8,9)
(3)InChIKey: SZVPSYHZBDHGGE-UHFFFAOYAV
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