CAS No.77112-66-4,2-AMINO-5-BROMO-3-ETHOXYPYRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77112-66-4
Name:	2-AMINO-5-BROMO-3-ETHOXYPYRAZINE
Article Data:	3

Formula:	C₆H₈BrN₃O
Molecular Weight:	218.053
Synonyms:	Pyrazinamine,5-bromo-3-ethoxy- (9CI);5-Bromo-3-ethoxypyrazin-2-amine;
Density:	1.616 g/cm³
Melting Point:	123-124 °C(Solv: hexane (110-54-3); benzene (71-43-2))
Boiling Point:	276 °C at 760 mmHg
Flash Point:	120.7 °C
PSA:	61.03000
LogP:	1.80120

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Specification

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