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61855-46-7

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Basic Information
CAS No.: 61855-46-7
Name: 2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL
Molecular Structure:
Molecular Structure of 61855-46-7 (2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL)
Formula: C12H17NO
Molecular Weight: 191.273
Synonyms: 1,2,3,4-Tetrahydro-6-hydroxy-2,2,4-trimethylquinoline;6-Hydroxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline;6-Oxyquin;2,2,4-Trimethyl-1,2,3,4-tetrahydro-6-quinolinol;2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-ol;
Density: 1.011 g/cm3
Melting Point: 181.5-183.5 °C
Boiling Point: 302.2 °C at 760 mmHg
Flash Point: 106.3 °C
PSA: 32.26000
LogP: 3.22790
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Specification

The 6-Quinolinol,1,2,3,4-tetrahydro-2,2,4-trimethyl-, with the CAS registry number 61855-46-7, is also known as 2,2,4-Trimethyl-1,2,3,4-tetrahydro-6-quinolinol. This chemical's molecular formula is C12H17NO and molecular weight is 191.27. What's more, its systematic name is 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinolin-6-ol.

Physical properties of 6-Quinolinol,1,2,3,4-tetrahydro-2,2,4-trimethyl- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 120.79; (7)ACD/KOC (pH 5.5): 228.44; (8)ACD/KOC (pH 7.4): 1061.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 57.68 cm3; (15)Molar Volume: 189.1 cm3; (16)Polarizability: 22.86×10-24 cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 106.3 °C; (20)Enthalpy of Vaporization: 56.41 kJ/mol; (21)Boiling Point: 302.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00056 mmHg at 25°C.

Uses of 6-Quinolinol,1,2,3,4-tetrahydro-2,2,4-trimethyl-: it can be used to produce 6-acetoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-quinoline at the temperature of 60 °C. It will need reagent Et3N and solvent benzene. The yield is about 65%.

6-Quinolinol,1,2,3,4-tetrahydro-2,2,4-trimethyl- can be used to produce 6-acetoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-quinoline at the temperature of 60 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2c(c1)C(CC(N2)(C)C)C
(2)InChI: InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-6,8,13-14H,7H2,1-3H3
(3)InChIKey: WYUZAQKIFRPZED-UHFFFAOYSA-N