CAS No.162648-46-6,1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBOXYLIC ACID Suppliers

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Molecular Structure:
CAS No.:	162648-46-6
Name:	1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBOXYLIC ACID
Article Data:	7

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.23
Synonyms:	6-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-;
Density:	1.196 g/cm³
Boiling Point:	390.685 °C at 760 mmHg
Flash Point:	190.08 °C
PSA:	40.54000
LogP:	1.83220

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Specification

The 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, with the CAS registry number 162648-46-6, is also called 6-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-. And the molecular formula of the chemical is C₁₁H₁₃NO₂.

The characteristics of 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 8.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 101.22; (8)ACD/KOC (pH 7.4): 2.46; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 53.63 cm³; (15)Molar Volume: 159.8 cm³; (16)Polarizability: 21.26×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 67.52 kJ/mol; (21)Boiling Point: 390.7 °C at 760 mmHg; (22)Vapour Pressure: 8.36E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)CCCN2C
(2)InChI: InChI=1/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
(3)InChIKey: NSGXPBOALKQVNP-UHFFFAOYAX