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944900-87-2

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Basic Information
CAS No.: 944900-87-2
Name: 3-Bromo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine
Molecular Structure:
Molecular Structure of 944900-87-2 (3-Bromo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine)
Formula: C6H8BrN3
Molecular Weight: 202.0518
Synonyms: 3-Bromo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine
Density: 1.93 g/cm3
Boiling Point: 364 °C at 760 mmHg
Flash Point: 173.941 °C
PSA: 29.85000
LogP: 1.07760
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Specification

The 3-Bromo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine is an organic compound with the formula C6H8BrN3. The systematic name of this chemical is 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine . With the CAS registry number 944900-87-2, it is also named as Imidazo[1,5-a]pyrazine, 3-bromo-5,6,7,8-tetrahydro-.

Physical properties about 3-Bromo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine are: (1)ACD/LogP: 0.06; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 5.374; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 29.85 ?2; (9)Index of Refraction: 1.751; (10)Molar Refractivity: 42.715 cm3; (11)Molar Volume: 104.7 cm3; (12)Polarizability: 16.934×10-24cm3; (13)Surface Tension: 61.834 dyne/cm; (14)Density: 1.93 g/cm3; (15)Flash Point: 173.941 °C; (16)Enthalpy of Vaporization: 61.013 kJ/mol; (17)Boiling Point: 364 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2n(c(n1)Br)CCNC2
(2)InChI: InChI=1/C6H8BrN3/c7-6-9-4-5-3-8-1-2-10(5)6/h4,8H,1-3H2
(3)InChIKey: CRSLIIAXVGQLGJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H8BrN3/c7-6-9-4-5-3-8-1-2-10(5)6/h4,8H,1-3H2
(5)Std. InChIKey: CRSLIIAXVGQLGJ-UHFFFAOYSA-N