The 2-Quinolinamine,6-chloro-, with the CAS registry number of 18672-02-1, is also known as 6-Chloro-2-quinazolinamine. This chemical's molecular formula is C9H7ClN2 and molecular weight is 179.61. What's more, its systematic name is 6-Chloroquinolin-2-amine.
Physical properties about the 2-Quinolinamine,6-chloro- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 12.23; (6)ACD/BCF (pH 7.4): 36.87; (7)ACD/KOC (pH 5.5): 151.58; (8)ACD/KOC (pH 7.4): 456.88; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 51.31 cm3; (15)Molar Volume: 131 cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 1.363 g/cm3; (18)Flash Point: 159.7 °C; (19)Enthalpy of Vaporization: 58.41 kJ/mol; (20)Boiling Point: 340.5 °C at 760 mmHg; (21)Vapour Pressure: 8.56E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2nc(N)ccc2c1
(2) InChI: InChI=1/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
(3) InChIKey: QXGSBXTUXCTJII-UHFFFAOYAC
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