Specification: |
The 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine, with the CAS registry number 766545-20-4, is also known as 1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro-. This chemical's molecular formula is C8H9ClN2 and molecular weight is 168.62. Its IUPAC name is called 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine.
Physical properties of 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine: (1)ACD/LogP: 0.80; (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): 30; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 44.762 cm3; (11)Molar Volume: 137.47 cm3; (12)Surface Tension: 45.139 dyne/cm; (13)Density: 1.227 g/cm3; (14)Flash Point: 126.056 °C; (15)Enthalpy of Vaporization: 52.383 kJ/mol; (16)Boiling Point: 284.822 °C at 760 mmHg; (17)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2CNCCc2n1
(2)InChI: InChI=1/C8H9ClN2/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-2,10H,3-5H2
(3)InChIKey: CQDMQOQCJRLUQN-UHFFFAOYAS
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