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| CAS No.: | 185854-45-9 |
|---|---|
| Name: | 1,2,3,4-TETRAHYDRO-2-QUINOLINEACETIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H13NO2 |
| Molecular Weight: | 191.23 |
| Synonyms: | 1,2,3,4-TETRAHYDRO-2-QUINOLINEACETIC ACID;RARECHEM AK ML 0239 |
| Density: | 1.162 g/cm3 |
| Boiling Point: | 407 °C at 760 mmHg |
| Flash Point: | 199.9 °C |
| PSA: | 49.33000 |
| LogP: | 2.02600 |
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Specification
This chemical is called 2-Quinolineacetic acid, 1,2,3,4-tetrahydro-, and its CAS registry number is 185854-45-9. With the molecular formula of C11H13NO2, its molecular weight is 191.23. Additionally, its product category is Pharmacetical.
Other characteristics of the 2-Quinolineacetic acid, 1,2,3,4-tetrahydro- can be summarised as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.93; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 52.66 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 20.87×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 69.47 kJ/mol; (21)Boiling Point: 407 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-07 mmHg at 25°C.
Production method of this chemical: The 2-Quinolineacetic acid, 1,2,3,4-tetrahydro- could be obtained by the reactant of (1,2,3,4-tetrahydro-quinolin-2-yl)-acetic acid methyl ester. This reaction needs the reagent of KOH, H2O, and the solvent of methanol. The yield is 91 %. In addition, this reaction should be taken for 12 hours.
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Uses of this chemical: The 2,2a,3,4-tetrahydro-azeto[1,2-a]quinolin-1-one could be obtained by the 2-Quinolineacetic acid, 1,2,3,4-tetrahydro-. This reaction needs the reagent of MsCl, NaHCO3, and the solvent of acetonitrile. The yield is 77 %. In addition, this reaction should be taken for 2 hours at the ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC2Nc1ccccc1CC2
2.InChI: InChI=1/C11H13NO2/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,12H,5-7H2,(H,13,14)
3.InChIKey: AMVYWECHDZNEQM-UHFFFAOYAG