2-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

The 8-Isoquinolinamine,1,2,3,4-tetrahydro-2-methyl-, with the CAS registry number 14788-34-2, is also known as 8-Amino-2-methyl-1,2,3,4-tetrahydroisoquinoline. This chemical's molecular formula is C₁₀H₁₄N₂ and molecular weight is 162.23. What's more, its systematic name is 2-Methyl-1,2,3,4-tetrahydroisoquinolin-8-amine.

Physical properties of 8-Isoquinolinamine,1,2,3,4-tetrahydro-2-methyl- are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.23; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.26 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 50.93 cm³; (13)Molar Volume: 149.5 cm³; (14)Polarizability: 20.19×10^-24 cm³; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.084 g/cm³; (17)Flash Point: 110.7 °C; (18)Enthalpy of Vaporization: 52.45 kJ/mol; (19)Boiling Point: 285.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0028 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitroisoquinoline. This reaction will need reagents H₂, Et₃N and solvent methanol with the reaction time of 0.5 hour. This reaction will also need catalyst 10 percent Pd/C. The yield is about 89%.

Uses of 8-Isoquinolinamine,1,2,3,4-tetrahydro-2-methyl-: it can be used to produce 2-methyl-1,2,3,4-tetrahydro-isoquinolin-8-ol by heating. It will need reagents 25 percent H₂SO₄, NaNO₂ and solvent H₂O with the reaction time of 1 hour. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc2cccc1CCN(C)Cc12
(2)InChI: InChI=1S/C10H14N2/c1-12-6-5-8-3-2-4-10(11)9(8)7-12/h2-4H,5-7,11H2,1H3
(3)InChIKey: PXAVAZKTFFJJEU-UHFFFAOYSA-N