Basic Information | Post buying leads | Suppliers |
Name |
8-Quinolinecarboxylic acid, butyl ester |
EINECS | N/A |
CAS No. | 107456-13-3 | Density | 1.122 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H15NO2 | Boiling Point | 355.6 °C at 760 mmHg |
Molecular Weight | 229.279 | Flash Point | 168.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyl 8-quinolinecarboxylate;Butyl quinoline-8-carboxylate; |
The 8-Quinolinecarboxylic acid, butyl ester, with the CAS registry number 107456-13-3, is also known as Butyl 8-quinolinecarboxylate. This chemical's molecular formula is C14H15NO2 and molecular weight is 229.27. What's more, its systematic name is Butyl quinoline-8-carboxylate.
Physical properties of 8-Quinolinecarboxylic acid, butyl ester are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.57; (6)ACD/BCF (pH 7.4): 92.99; (7)ACD/KOC (pH 5.5): 888.52; (8)ACD/KOC (pH 7.4): 892.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 67.85 cm3; (15)Molar Volume: 204.1 cm3; (16)Polarizability: 26.9×10-24 cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 60.08 kJ/mol; (21)Boiling Point: 355.6 °C at 760 mmHg; (22)Vapour Pressure: 3.09E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C1=CC=CC2=C1N=CC=C2
(2)InChI: InChI=1S/C14H15NO2/c1-2-3-10-17-14(16)12-8-4-6-11-7-5-9-15-13(11)12/h4-9H,2-3,10H2,1H3
(3)InChIKey: GJFPGGGITOORJL-UHFFFAOYSA-N