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Name |
6-Isoquinolinol,3,4-dihydro-7-methoxy-1-methyl- |
EINECS | N/A |
CAS No. | 4602-70-4 | Density | 1.19 /cm3 |
PSA | 41.82000 | LogP | 1.20150 |
Solubility | N/A | Melting Point |
182 °C |
Formula | C11H13NO2 | Boiling Point | 336.8 °C at 760 mmHg |
Molecular Weight | 191.23 | Flash Point | 157.5 °C |
Transport Information | N/A | Appearance | beige to orange-brown crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methyl-3,4-dihydro-6-hydroxy-7-methoxyisoquinoline; |
The 6-Isoquinolinol, 3, 4-dihydro-7-methoxy-1-methyl-, with the CAS registry number of 4602-70-4, is also known as 1-Methyl-3, 4-dihydro-6-hydroxy-7-methoxyisoquinoline. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.22642. What's more, its IUPAC name is 6-Methoxy-1-methyl-3, 4-dihydroisoquinolin-7-ol.
Physical properties about 6-Isoquinolinol, 3, 4-dihydro-7-methoxy-1-methyl- are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.43; (8)ACD/KOC (pH 7.4): 27.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 159.3 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 157.5 °C; (19)Enthalpy of Vaporization: 60.29 kJ/mol; (20)Boiling Point: 336.8 °C at 760 mmHg; (21)Vapour Pressure: 5.61E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc2c(OC)cc1c(\C(=N/CC1)C)c2
(2) InChI: InChI=1/C11H13NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
(3) InChIKey: GNFURDSMULTPOS-UHFFFAOYAK