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446286-90-4

Basic Information
CAS No.: 446286-90-4
Name: 2-BROMO-5-(PIPERAZIN-1-YL)PYRAZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 446286-90-4 (2-BROMO-5-(PIPERAZIN-1-YL)PYRAZINE)
Formula: C8H11BrN4
Molecular Weight: 243.106
Synonyms: 2-BROMO-5-(PIPERAZIN-1-YL)PYRAZINE
Density: 1.516 g/cm3
Boiling Point: 380.586 °C at 760 mmHg
Flash Point: 183.972 °C
PSA: 41.05000
LogP: 1.04250
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Specification

The Pyrazine,2-bromo-5-(1-piperazinyl)- has CAS registry number 446286-90-4. This chemical's molecular formula is C8H11BrN4 and molecular weight is 243.10. What's more, its IUPAC name is 2-bromo-5-piperazin-1-ylpyrazine.

Physical properties of Pyrazine,2-bromo-5-(1-piperazinyl)- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.721; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.05 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 53.678 cm3; (13)Molar Volume: 160.367 cm3; (14)Polarizability: 21.28×10-24cm3; (15)Surface Tension: 52.24 dyne/cm; (16)Density: 1.516 g/cm3; (17)Flash Point: 183.972 °C; (18)Enthalpy of Vaporization: 62.876 kJ/mol; (19)Boiling Point: 380.586 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncc(n1)Br)N2CCNCC2
(2)Std. InChI: InChI=1S/C8H11BrN4/c9-7-5-12-8(6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
(3)Std. InChIKey: PQTLIQZJZHJUPD-UHFFFAOYSA-N