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CAS No.: | 90-52-8 |
---|---|
Name: | 8-AMINO-6-METHOXYQUINOLINE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C10H10N2O |
Molecular Weight: | 174.202 |
Synonyms: | Quinoline,8-amino-6-methoxy- (6CI,7CI);6-Methoxyquinolin-8-ylamine;8-Amino-6-methoxyquinoline;Amichin; |
EINECS: | 202-001-3 |
Density: | 1.217 g/cm3 |
Melting Point: | 41 °C |
Boiling Point: | 361.8 °C at 760 mmHg |
Flash Point: | 172.6 °C |
Solubility: | slightly soluble in water |
Appearance: | solid |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 48.14000 |
LogP: | 2.40680 |
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The CAS registry number of 6-Methoxy-8-quinolylamine is 90-52-8. With EINECS registry number 202-001-3, its IUPAC name is 6-methoxyquinolin-8-amine. In addition, the molecular formula is C10H10N2O. What's more, it is incompatible with strong oxidizing agents. And it can be used in organic synthesis.
Physical properties about this chemical are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.93; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.16; (5)ACD/BCF (pH 7.4): 17.78; (6)ACD/KOC (pH 5.5): 263.53; (7)ACD/KOC (pH 7.4): 273.11; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 25.36 Å2; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 53.1 cm3; (14)Molar Volume: 143 cm3; (15)Polarizability: 21.05 ×10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.217 g/cm3; (18)Flash Point: 172.6 °C; (19)Enthalpy of Vaporization: 60.77 kJ/mol; (20)Boiling Point: 361.8 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-05 mmHg at 25°C.
Preparation of 6-Methoxy-8-quinolylamine: it can be prepared by 6-methoxy-8-nitro-quinoline and hydrochloric acid in the presence of catalyst iron powder. This reaction should react for 5.5 hours at reaction temperature of 65-70 °C. And then after a series of cooling and filtration you can get 8-amino-6-methoxyquinolinehydrochloride. Then via salting-out and neutralization you can get the desired product.
Uses of 6-Methoxy-8-quinolylamine: it can react with 1-(2,3-epoxy-propoxy)-3-nitro-benzene to get 1-(6-methoxy-quinolin-8-ylamino)-3-(3-nitro-phenoxy)-propan-2-ol. This reaction will need solvent methanol. The reaction time is 12 hours by heating. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(N)c2ncccc2c1)C
(2)Std. InChI: InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
(3)Std. InChIKey: YGGTVPCTAKYCSQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. AD691-490, |