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446286-94-8

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Basic Information
CAS No.: 446286-94-8
Name: 5-BROMO-2-(DIMETHYLAMINO)PYRAZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 446286-94-8 (5-BROMO-2-(DIMETHYLAMINO)PYRAZINE)
Formula: C6H8BrN3
Molecular Weight: 202.054
Synonyms: Pyrazinamine, 5-bromo-N,N-dimethyl-(9CI);5-bromo-N,N-dimethyl-pyrazin-2-amine;
Density: 1.554 g/cm3
Boiling Point: 265.206 °C at 760 mmHg
Flash Point: 114.193 °C
PSA: 29.02000
LogP: 1.30510
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Specification

The CAS registry number of 2-Pyrazinamine,5-bromo-N,N-dimethyl- is 446286-94-8. The IUPAC name is 5-bromo-N,N-dimethyl-pyrazin-2-amine. In addition, the molecular formula of is C6H8BrN3 and the molecular weight is 202.05. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Pyrazinamine,5-bromo-N,N-dimethyl- are as following: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.404; (4)ACD/LogD (pH 7.4): 2.404; (5)ACD/BCF (pH 5.5): 39.513; (6)ACD/BCF (pH 7.4): 39.519; (7)ACD/KOC (pH 5.5): 483.656; (8)ACD/KOC (pH 7.4): 483.739; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 44.439 cm3; (15)Molar Volume: 130.057 cm3; (16)Polarizability: 17.617×10-24cm3; (17)Surface Tension: 51.314 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 114.193 °C; (20)Enthalpy of Vaporization: 50.312 kJ/mol; (21)Boiling Point: 265.206 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1cnc(cn1)Br
(2)InChI: InChI=1/C6H8BrN3/c1-10(2)6-4-8-5(7)3-9-6/h3-4H,1-2H3
(3)InChIKey: FWXYKLVSUHVGKN-UHFFFAOYAS