6-Quinolineacetic acid ethyl ester supplier

Name
ETHYL 2-(QUINOLIN-6-YL)ACETATE
EINECS
CAS No. 5622-38-8
Article Data4
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point 26-27 °C
Formula C₁₃H₁₃NO₂
Boiling Point 341.425 °C at 760 mmHg
Molecular Weight 215.25
Flash Point 160.289 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 6-quinolinylacetate;
PSA 39.19000
LogP 2.34040

6-Quinolineacetic acid ethyl ester Specification

The 6-Quinolineacetic acid ethyl ester, with the CAS registry number 5622-38-8, is also known as Ethyl 2-(quinolin-6-yl)acetate. This chemical's molecular formula is C₁₃H₁₃NO₂ and molecular weight is 215.25. What's more, its systematic name is called Ethyl 6-quinolinylacetate.

Physical properties about 6-Quinolineacetic acid ethyl ester are: (1)ACD/LogP: 2.363; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 30.16; (6)ACD/BCF (pH 7.4): 36.70; (7)ACD/KOC (pH 5.5): 376.75; (8)ACD/KOC (pH 7.4): 458.40; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 62.776 cm³; (15)Molar Volume: 186.086 cm³; (16)Polarizability: 24.887×10^-24cm³; (17)Surface Tension: 46.5830001831055 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 160.289 °C; (20)Enthalpy of Vaporization: 58.508 kJ/mol; (21)Boiling Point: 341.425 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1ccc2c(c1)cccn2
(2) InChI: InChI=1S/C13H13NO2/c1-2-16-13(15)9-10-5-6-12-11(8-10)4-3-7-14-12/h3-8H,2,9H2,1H3
(3) InChIKey: GPBLWJQFTVDYFO-UHFFFAOYSA-N

Product Name

ETHYL 2-(QUINOLIN-6-YL)ACETATE

6-Quinolineacetic acid ethyl ester Specification

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