Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Quinolinecarboxylicacid, 2-methyl-, ethyl ester |
EINECS | N/A |
CAS No. | 855763-77-8 | Density | 1.148 g/cm3 |
PSA | 39.19000 | LogP | 2.71990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H13NO2 | Boiling Point | 334.4 °C at 760 mmHg |
Molecular Weight | 215.252 | Flash Point | 156.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl2-methylquinoline-6-carboxylate;2-Methylquinoline-6-carboxylic acid ethyl ester;Ethyl4-hydroxy-2-methylquinoline-6-carboxylate; |
Article Data | 4 |
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