Quinoline,1,2,3,4-tetrahydro-1-methyl- (491-34-9)

The 1,2,3,4-Tetrahydro-1-methylquinoline, with the cas registry number 491-34-9 and EINECS registry number 207-733-7, has the systematic name of 1-methyl-1,2,3,4-tetrahydroquinoline. And the molecular formula of the chemical is C₁₀H₁₃N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 14.17; (6)ACD/BCF (pH 7.4): 63.23; (7)ACD/KOC (pH 5.5): 149.75; (8)ACD/KOC (pH 7.4): 668.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 46.7 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 18.51×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.999 g/cm³; (19)Flash Point: 95 °C; (20)Enthalpy of Vaporization: 48.55 kJ/mol; (21)Boiling Point: 248.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0244 mmHg at 25°C.

Preparation of 1,2,3,4-Tetrahydro-1-methylquinoline: This chemical can be prepared by 1,2,3,4-tetrahydro-quinoline and formaldehyde. The reaction will need reagent decaborane, and the menstruum methanol and H₂O. The reaction time is 0.5 hours with the temperature of 20°C, and the yield is about 91%. 

Uses of 1,2,3,4-Tetrahydro-1-methylquinoline: It can react with iodomethane to produce 1,1-dimethyl-1,2,3,4-tetrahydro-quinolinium; iodide. This reaction will need reagent benzene, and the yield is about 85%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)CCCN2C
(2)InChI: InChI=1/C10H13N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
(3)InChIKey: YVBSECQAHGIWNF-UHFFFAOYAS