Isoquinoline, 7-bromo-1,2,3,4-tetrahydro- (17680-55-6)

The 7-Bromo-1,2,3,4-tetrahydroisoquinoline, with the CAS registry number 17680-55-6, is also known as Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-. This chemical's molecular formula is C₉H₁₀BrN and molecular weight is 212.09. Its IUPAC name and systematic name are the same which is called 7-bromo-1,2,3,4-tetrahydroisoquinoline.

Physical properties of 7-Bromo-1,2,3,4-tetrahydroisoquinoline: (1)ACD/LogP: 2.64; (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): 7; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)Index of Refraction: 1.581; (9)Molar Refractivity: 49.465 cm³; (10)Molar Volume: 148.481 cm³; (11)Surface Tension: 41.475 dyne/cm; (12)Density: 1.428 g/cm³; (13)Melting Point: 32-35 °C; (14)Flash Point: 124.899 °C; (15)Enthalpy of Vaporization: 52.18 kJ/mol; (16)Boiling Point: 282.908 °C at 760 mmHg; (17)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCC2=C1C=CC(=C2)Br
(2)InChI: InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
(3)InChIKey: OYODEQFZAJVROF-UHFFFAOYSA-N