6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester supplier

Name
ethyl2-methylquinoline-6-carboxylate
EINECS
CAS No. 855763-77-8
Article Data4
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₂
Boiling Point 334.4 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 156.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl2-methylquinoline-6-carboxylate;2-Methylquinoline-6-carboxylic acid ethyl ester;Ethyl4-hydroxy-2-methylquinoline-6-carboxylate;
PSA 39.19000
LogP 2.71990

6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester Specification

The systematic name of 6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester is Ethyl 2-methylquinoline-6-carboxylate. With the CAS registry number 855763-77-8, it is also named as 2-Methylquinoline-6-carboxylic acid ethyl ester. The product's categories are Heterocyclic Compounds; Quinolines; Quinoline. In addition, its molecular formula is C₁₃H₁₃NO₂ and its molecular weight is 215.25.

The other characteristics of 6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester can be summarized as: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 104.33; (6)ACD/BCF (pH 7.4): 133.21; (7)ACD/KOC (pH 5.5): 903.22; (8)ACD/KOC (pH 7.4): 1153.2; (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: 1.591; (14)Molar Refractivity: 63.41 cm³; (15)Molar Volume: 187.4 cm³; (16)Polarizability: 25.14×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 57.74 kJ/mol; (21)Boiling Point: 334.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000128 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)c1ccc2c(c1)ccc(n2)C
(2)InChI: InChI=1/C13H13NO2/c1-3-16-13(15)11-6-7-12-10(8-11)5-4-9(2)14-12/h4-8H,3H2,1-2H3
(3)InChIKey: WLKKUWXLOSMSMH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H13NO2/c1-3-16-13(15)11-6-7-12-10(8-11)5-4-9(2)14-12/h4-8H,3H2,1-2H3
(5)Std. InChIKey: WLKKUWXLOSMSMH-UHFFFAOYSA-N

Product Name

ethyl2-methylquinoline-6-carboxylate

6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester Specification

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