3-Ethyl-8-methoxyquinoline supplier

Name
3-Ethyl-8-methoxyquinoline
EINECS -0
CAS No. 112955-03-0
Article Data2
CAS DataBase
Density 1.079 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO
Boiling Point 307.505 °C at 760 mmHg
Molecular Weight 187.241
Flash Point 112.764 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethyl-8-methoxyquinoline
PSA 22.12000
LogP 2.80580

3-Ethyl-8-methoxyquinoline Specification

The IUPAC name of 3-Ethyl-8-methoxyquinoline is 3-Ethyl-8-methoxyquinoline. With the CAS registry number 112955-03-0, it is also named as Quinoline,3-ethyl-8-methoxy-. The product's category is Quinoline & Isoquinoline. In addition, its molecular formula is C₁₂H₁₃NO and its molecular weight is 187.24.

The other characteristics of 3-Ethyl-8-methoxyquinoline can be summarized as: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 82.73; (6)ACD/BCF (pH 7.4): 83.53; (7)ACD/KOC (pH 5.5): 818.56; (8)ACD/KOC (pH 7.4): 826.5; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 58.41 cm³; (15)Molar Volume: 173.5 cm³; (16)Polarizability: 23.15×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.078 g/cm³; (19)Flash Point: 112.8 °C; (20)Enthalpy of Vaporization: 52.62 kJ/mol; (21)Boiling Point: 307.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00131 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COc1cccc2cc(cnc12)CC
(2)InChI:InChI=1/C12H13NO/c1-3-9-7-10-5-4-6-11(14-2)12(10)13-8-9/h4-8H,3H2,1-2H3
(3)InChIKey:QBVUVMNSJBCGOL-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C12H13NO/c1-3-9-7-10-5-4-6-11(14-2)12(10)13-8-9/h4-8H,3H2,1-2H3
(5)Std. InChIKey:QBVUVMNSJBCGOL-UHFFFAOYSA-N

Product Name

3-Ethyl-8-methoxyquinoline

3-Ethyl-8-methoxyquinoline Specification

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