Specification: |
The 1,2,3,4-Tetrahydroquinolin-6-amine, with the CAS registry number 103796-41-4, is also called 6-quinolinamine, 1,2,3,4-tetrahydro-. It belongs to the following product categories: Quinolines, Quinazolines and Derivatives. And the molecular formula of the chemical is C9H12N2.
The characteristics of 1,2,3,4-Tetrahydroquinolin-6-amine are as followings: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 46.01 cm3; (9)Molar Volume: 134.5 cm3; (10)Polarizability: 18.24×10-24cm3; (11)Surface Tension: 46.8 dyne/cm; (12)Density: 1.101 g/cm3; (13)Flash Point: 186.4 °C; (14)Enthalpy of Vaporization: 58.25 kJ/mol; (15)Boiling Point: 339.1 °C at 760 mmHg; (16)Vapour Pressure: 9.39E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1(ccc2c(c1)CCCN2)N
(2)InChI: InChI=1/C9H12N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5,10H2
(3)InChIKey: SSEWGJUYSOIDMK-UHFFFAOYAF
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