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Name |
Diethyl 2,3-quinolinedicarboxylate |
EINECS | N/A |
CAS No. | 32413-08-4 | Density | 1.211g/cm3 |
PSA | 65.49000 | LogP | 2.58820 |
Solubility | N/A | Melting Point |
54-56°C |
Formula | C15H15NO4 | Boiling Point | 370.4 °C at 760 mmHg |
Molecular Weight | 273.288 | Flash Point | 177.8 °C |
Transport Information | N/A | Appearance | White powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Quinolinedicarboxylicacid, diethyl ester (8CI,9CI);Diethyl 2,3-quinolinedicarboxylate; |
Article Data | 11 |
The Diethyl 2,3-quinolinedicarboxylate, with cas registry number 32413-08-4, has the systematic name of diethyl quinoline-2,3-dicarboxylate. And its IUPAC name is the same one. Besides this, it is also called 2,3-quinolinedicarboxylic acid, diethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.23; (6)ACD/BCF (pH 7.4): 68.23; (7)ACD/KOC (pH 5.5): 715.08; (8)ACD/KOC (pH 7.4): 715.08; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 74.99 cm3; (15)Molar Volume: 225.5 cm3; (16)Polarizability: 29.73×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Enthalpy of Vaporization: 61.73 kJ/mol; (19)Vapour Pressure: 1.11E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc2ccccc2nc1C(=O)OCC
(2)InChI: InChI=1/C15H15NO4/c1-3-19-14(17)11-9-10-7-5-6-8-12(10)16-13(11)15(18)20-4-2/h5-9H,3-4H2,1-2H3
(3)InChIKey: ICMBEQVDQPLOFB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H15NO4/c1-3-19-14(17)11-9-10-7-5-6-8-12(10)16-13(11)15(18)20-4-2/h5-9H,3-4H2,1-2H3
(5)Std. InChIKey: ICMBEQVDQPLOFB-UHFFFAOYSA-N