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18507-89-6

Basic Information
CAS No.: 18507-89-6
Name: 3-Quinolinecarboxylicacid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester
Molecular Structure:
Molecular Structure of 18507-89-6 (3-Quinolinecarboxylicacid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester)
Formula: C24H35NO5
Molecular Weight: 417.53
Synonyms: Ethyl 4-hydroxy-6-(decyloxy)-7-ethoxyquinoline-3-carboxylate;Ethyl 6-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate;HC 1528;M and B 15497;NSC 339057;
EINECS: 242-389-1
Density: 1.078 g/cm3
Melting Point: 86-87 °C
Boiling Point: 537.7 °C at 760 mmHg
Flash Point: 279 °C
Solubility: slightly soluble in chloroform, ethyl ether, hardly soluble in water
Appearance: pale yellow crystals
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 77.88000
LogP: 6.03530
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Specification

The 3-Quinolinecarboxylicacid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester, with the CAS registry number 18507-89-6, is also known as Ethyl 4-hydroxy-6-(decyloxy)-7-ethoxyquinoline-3-carboxylate. It belongs to the product categories of Quinoline & Isoquinoline; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 242-389-1. This chemical's molecular formula is C24H35NO5 and molecular weight is 417.53. What's more, its systematic name is ethyl 6-(decyloxy)-7-ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate. Its classification codes are: (1)Anti-Infective Agents; (2)Antiparasitic Agents; (3)Antiprotozoal Agents; (4)Coccidiostat [for poultry]; (5)Coccidiostats. It is a quinolone coccidiostat used in veterinary medicine, in particular as animal feed for poultry. 

Physical properties of 3-Quinolinecarboxylicacid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester are: (1)ACD/LogP: 8.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 709960.13; (6)ACD/BCF (pH 7.4): 710045.13; (7)ACD/KOC (pH 5.5): 536869.13; (8)ACD/KOC (pH 7.4): 536933.38; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 116.77 cm3; (15)Molar Volume: 387.2 cm3; (16)Polarizability: 46.29×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 279 °C; (20)Enthalpy of Vaporization: 81.46 kJ/mol; (21)Boiling Point: 537.7 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-11 mmHg at 25°C.

Preparation: first, 3,4-dihydroxy nitrobenzene reacts with bromodecane in DMF, then through ethoxylating and reducting, 3-ethyoxyl-4-decyloxyphenylamine is made. After that, this intermediate product condensates with diethyl Ethoxymethylenemalonate, then the end product is got.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cc(OCC)c(OCCCCCCCCCC)c1)N/C=C/2C(=O)OCC
(2)Std. InChI: InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
(3)Std. InChIKey: JHAYEQICABJSTP-UHFFFAOYSA-N 

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