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CAS No.: | 6628-28-0 |
---|---|
Name: | 2-METHYL-6-ETHOXYQUINOLINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C12H13NO |
Molecular Weight: | 187.241 |
Synonyms: | Quinaldine,6-ethoxy- (6CI,8CI);6-Ethoxy-2-methylquinoline;6-Ethoxyquinaldine;NSC 60562; |
EINECS: | 229-609-1 |
Density: | 1.078 g/cm3 |
Melting Point: | 70 °C |
Boiling Point: | 301.3 °C at 760 mmHg |
Flash Point: | 110.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 22.12000 |
LogP: | 2.94190 |
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The Quinoline,6-ethoxy-2-methyl-, with the CAS registry number 6628-28-0, is also known as 6-Ethoxyquinaldine. It belongs to the product categories of Alkoxyquinolines; Alkylquinolines; Quinolines. Its EINECS number is 229-609-1. This chemical's molecular formula is C12H13NO and molecular weight is 187.24. What's more, its systematic name is 6-ethoxy-2-methylquinoline.
Physical properties of Quinoline,6-ethoxy-2-methyl- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 42.85; (6)ACD/BCF (pH 7.4): 145.13; (7)ACD/KOC (pH 5.5): 359.21; (8)ACD/KOC (pH 7.4): 1216.58; (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: 1.586; (14)Molar Refractivity: 58.32 cm3; (15)Molar Volume: 173.5 cm3; (16)Polarizability: 23.12×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 110.5 °C; (20)Enthalpy of Vaporization: 51.97 kJ/mol; (21)Boiling Point: 301.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0019 mmHg at 25°C.
Uses of Quinoline,6-ethoxy-2-methyl-: it can be used to produce C17H17N2O(1+)·I(1-). It will need reagent I2. The yield is about 40%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc2nc(ccc2c1)C)CC
(2)InChI: InChI=1S/C12H13NO/c1-3-14-11-6-7-12-10(8-11)5-4-9(2)13-12/h4-8H,3H2,1-2H3
(3)InChIKey: VTGXHCUQALWXCR-UHFFFAOYSA-N