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24260-31-9

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Basic Information
CAS No.: 24260-31-9
Name: 2-ISOBUTYL-QUINOLINE-4-CARBOXYLIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 24260-31-9 (2-ISOBUTYL-QUINOLINE-4-CARBOXYLIC ACID)
Formula: C14H15NO2
Molecular Weight: 229.279
Synonyms: 2-Isobutylquinoline-4-carboxylic acid;
Density: 1.172 g/cm3
Boiling Point: 367.3 °C at 760 mmHg
Flash Point: 175.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 50.19000
LogP: 3.13150
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Specification

The 4-Quinolinecarboxylicacid, 2-(2-methylpropyl)-, with the CAS registry number 24260-31-9, is also known as 2-Isobutylquinoline-4-carboxylic acid. This chemical's molecular formula is C14H15NO2 and molecular weight is 229.27. What's more, its systematic name is 2-(2-Methylpropyl)quinoline-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinecarboxylicacid, 2-(2-methylpropyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.71; (8)ACD/KOC (pH 7.4): 1.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 67.89 cm3; (15)Molar Volume: 195.5 cm3; (16)Polarizability: 26.91×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 175.9 °C; (20)Enthalpy of Vaporization: 64.76 kJ/mol; (21)Boiling Point: 367.3 °C at 760 mmHg; (22)Vapour Pressure: 4.83E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c2ccccc2nc(c1)CC(C)C
(2) InChI: InChI=1/C14H15NO2/c1-9(2)7-10-8-12(14(16)17)11-5-3-4-6-13(11)15-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)
(3) InChIKey: FTAADMSZKWMHEV-UHFFFAOYAV