| Synonyms: | 1,2,3,4-Tetrahydroquinoline-5-carboxylic acid ethyl ester;5-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester; |
| InChI: | InChI=1/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3 |
| Specification: |
This chemical is called 1,2,3,4-Tetrahydroquinoline-5-carboxylic acid ethyl ester, and its systematic name is 5-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester. With the molecular formula of C12H15NO2, its molecular weight is 205.25. In addition, the CAS registry number of this chemical is 118128-78-2.
Other characteristics of the 1,2,3,4-Tetrahydroquinoline-5-carboxylic acid ethyl ester can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 137.88; (6)ACD/BCF (pH 7.4): 145.53; (7)ACD/KOC (pH 5.5): 1164.93; (8)ACD/KOC (pH 7.4): 1229.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 58.18 cm3; (15)Molar Volume: 186.6 cm3; (16) Polarizability: 23.06×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 170.5 °C; (20)Enthalpy of Vaporization: 60.38 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cccc2c1CCCN2
(2)InChI: InChI=1/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3
(3)InChIKey: IVUBOWZGLSRVFX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-7-11-9(10)6-4-8-13-11/h3,5,7,13H,2,4,6,8H2,1H3
(5)Std. InChIKey: IVUBOWZGLSRVFX-UHFFFAOYSA-N
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