Products Categories
CAS No.: | 52986-70-6 |
---|---|
Name: | 6-Methoxyisoquinoline |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H9NO |
Molecular Weight: | 159.188 |
Synonyms: | 6-METHOXY-ISOQUINOLINE;6-Methoxyisoquinoline 90%;6-methoxylisoquinoline;6-Methoxy-2-azanaphthalene |
EINECS: | -0 |
Density: | 1.131 g/cm3 |
Boiling Point: | 295.593 °C at 760 mmHg |
Flash Point: | 108.428 °C |
Appearance: | clear oil |
Hazard Symbols: | Xi |
PSA: | 22.12000 |
LogP: | 2.24340 |
What can I do for you?
Get Best Price
The 6-Methoxyisoquinoline, with the CAS registry number 52986-70-6, is also known as isoquinoline, 6-methoxy-. Its molecular formula is C10H9NO and its product categories are Blocks; Heterocycles; Quinolines; Heterocyclic Series; Quinoline & Isoquinoline; API Intermediates; Aromatics. However, this chemical is clear oil whiche is irritant. Please be careful if you use it.
Other characteristics of the 6-Methoxyisoquinoline can be summarised as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 282; (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: 1.611; (14)Molar Refractivity: 48.865 cm3; (15)Molar Volume: 140.775 cm3; (16)Polarizability: 19.372×10-24cm3; (17)Surface Tension: 43.689 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 108.428 °C; (20)Enthalpy of Vaporization: 51.388 kJ/mol; (21)Boiling Point: 295.593 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1ccc2cnccc2c1
2.InChI: InChI=1/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
3.InChIKey: XZNUJESLPUNSNO-UHFFFAOYAR