-
Name
3-Methoxyquinoline
- EINECS -0
- CAS No. 6931-17-5
- Article Data1
- CAS DataBase
- Density 1.13 g/cm3
- Solubility
- Melting Point
- Formula C10H9NO
- Boiling Point 280.1 °C at 760 mmHg
- Molecular Weight 159.18
- Flash Point 102.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Quinoline, 3-methoxy-;
- PSA 22.12000
- LogP 2.24340
3-Methoxyquinoline Specification
The 3-Methoxyquinoline, with CAS registry number 6931-17-5, has the systematic name of 3-methoxyquinoline. And its IUPAC name is the same one. Besides this, it is also called Quinoline, 3-methoxy-.
Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.02; (6)ACD/BCF (pH 7.4): 19.47; (7)ACD/KOC (pH 5.5): 284.63; (8)ACD/KOC (pH 7.4): 291.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.86 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Enthalpy of Vaporization: 49.8 kJ/mol; (19)Vapour Pressure: 0.00656 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2ccccc2nc1)C
(2)InChI: InChI=1/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
(3)InChIKey: AQCRFDKOKZGTDE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
(5)Std. InChIKey: AQCRFDKOKZGTDE-UHFFFAOYSA-N
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