Name: 5-BROMO-2-(METHYLAMINO)PYRAZINE
SKU: 446286-92-6

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Basic Information

Molecular Structure:
CAS No.:	446286-92-6
Name:	5-BROMO-2-(METHYLAMINO)PYRAZINE

Formula:	C₅H₆BrN₃
Molecular Weight:	188.027
Synonyms:	Pyrazinamine, 5-bromo-N-methyl- (9CI);5-bromo-N-methyl-pyrazin-2-amine;
Density:	1.686 g/cm³
Boiling Point:	259.874 °C at 760 mmHg
Flash Point:	110.968 °C
PSA:	37.81000
LogP:	1.35380

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Specification

The CAS registry number of 2-Pyrazinamine,5-bromo-N-methyl- is 446286-92-6. The IUPAC name is 5-bromo-N-methylpyrazin-2-amine. In addition, the molecular formula is C₅H₆BrN₃ and the molecular weight is 188.0252. It should be stored in a cool and dry place.

Physical properties about 2-Pyrazinamine,5-bromo-N-methyl- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.429; (4)ACD/LogD (pH 7.4): 0.429; (5)ACD/BCF (pH 5.5): 1.247; (6)ACD/BCF (pH 7.4): 1.247; (7)ACD/KOC (pH 5.5): 40.761; (8)ACD/KOC (pH 7.4): 40.769; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.81 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 39.735 cm³; (15)Molar Volume: 111.522 cm³; (16)Polarizability: 15.752 ×10^-24cm³; (17)Surface Tension: 55.912 dyne/cm; (18)Density: 1.686 g/cm³; (19)Flash Point: 110.968 °C; (20)Enthalpy of Vaporization: 49.754 kJ/mol; (21)Boiling Point: 259.874 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNc1cnc(cn1)Br
(2)InChI: InChI=1/C5H6BrN3/c1-7-5-3-8-4(6)2-9-5/h2-3H,1H3,(H,7,9)
(3)InChIKey: GJVFQZGJWPCJSP-UHFFFAOYAT