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CAS No.: | 34146-68-4 |
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Name: | 8-methoxy-1,2,3,4-tetrahydroisoquinoline |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H13NO |
Molecular Weight: | 163.22 |
Synonyms: | 8-Methoxy-1,2,3,4-tetrahydroisoquinoline;8-Methoxy-1,2,3,4-tetrahydro-isoquinoline; |
Density: | 1.044 g/cm3 |
Melting Point: | 38-39℃ |
Boiling Point: | 293.923 °C at 760 mmHg |
Flash Point: | 113.001 °C |
PSA: | 21.26000 |
LogP: | 1.66970 |
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The Isoquinoline,1,2,3,4-tetrahydro-8-methoxy-, with the CAS registry number 34146-68-4, is also known as 8-Methoxy-1,2,3,4-tetrahydro-isoquinoline. This chemical's molecular formula is C10H13NO and molecular weight is 163.22. What's more, its IUPAC name is 8-methoxy-1,2,3,4-tetrahydroisoquinoline.
Physical properties of Isoquinoline,1,2,3,4-tetrahydro-8-methoxy- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 21.26 Å2; (9)Index of Refraction: 1.532; (10)Molar Refractivity: 48.454 cm3; (11)Molar Volume: 156.298 cm3; (12)Polarizability: 19.209×10-24cm3; (13)Surface Tension: 36.048 dyne/cm; (14)Density: 1.044 g/cm3; (15)Flash Point: 113.001 °C; (16)Enthalpy of Vaporization: 53.353 kJ/mol; (17)Boiling Point: 293.923 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC2=C1CNCC2
(2)InChI: InChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
(3)InChIKey: VEYNNZSFJBDSPI-UHFFFAOYSA-N