6-Quinolineacetic acid,methyl ester supplier

Name
METHYL 6-QUINOLINEACETATE
EINECS
CAS No. 5622-36-6
Article Data8
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₂
Boiling Point 327.8 °C at 760 mmHg
Molecular Weight 201.225
Flash Point 152.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl2-(quinolin-6-yl)acetate;methyl quinolin-6-ylacetate;Methyl quinolin-6-ylacetate;Methyl 6-Quinolineacetate;Quinolin-6-Yl-Acetic Acid Methyl Ester;
PSA 39.19000
LogP 1.95030

6-Quinolineacetic acid,methyl ester Specification

The 6-Quinolineacetic acid,methyl ester, with the CAS registry number 5622-36-6, has the systematic name of methyl quinolin-6-ylacetate. It beongs to the following product categories: Acids and Derivatives; Heterocycles; Pharmacetical. And the molecular formula of the chemical is C₁₂H₁₁NO₂.

The characteristics of 6-Quinolineacetic acid,methyl ester are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 12.02; (6)ACD/BCF (pH 7.4): 14.48; (7)ACD/KOC (pH 5.5): 195.5; (8)ACD/KOC (pH 7.4): 235.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 58.14 cm³; (15)Molar Volume: 169.5 cm³; (16)Polarizability: 23.04×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.186 g/cm³; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 327.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000197 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)Cc1ccc2ncccc2c1
(2)InChI: InChI=1/C12H11NO2/c1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11/h2-7H,8H2,1H3
(3)InChIKey: PCUOFKCRVNHDEB-UHFFFAOYAL

Product Name

METHYL 6-QUINOLINEACETATE

6-Quinolineacetic acid,methyl ester Specification

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