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| CAS No.: | 224161-37-9 |
|---|---|
| Name: | 6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE |
| Molecular Structure: | |
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| Formula: | C9H10FN |
| Molecular Weight: | 151.184 |
| Synonyms: | 6-Fluoro-1,2,3,4-tetrahydroisoquinoline;6-fluoro-1,2,3,4-tetrahydroisoquinoline;isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-; |
| Density: | 1.108 g/cm3 |
| Boiling Point: | 227.55 °C at 760 mmHg |
| Flash Point: | 91.419 °C |
| PSA: | 12.03000 |
| LogP: | 1.80020 |
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Specification
The 6-Fluoro-1,2,3,4-tetrahydroisoquinoline, with the CAS registry number 224161-37-9, has the systematic name of 6-fluoro-1,2,3,4-tetrahydroisoquinoline. It belongs to the product category of Halide. And the molecular formula of this chemical is C9H10FN.
The physical properties of 6-Fluoro-1,2,3,4-tetrahydroisoquinoline are as following: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.33; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 41.76 cm3; (13)Molar Volume: 136.5 cm3; (14)Polarizability: 16.55×10-24cm3; (15)Surface Tension: 35.5 dyne/cm; (16)Density: 1.107 g/cm3; (17)Flash Point: 91.4 °C; (18)Enthalpy of Vaporization: 46.41 kJ/mol; (19)Boiling Point: 227.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0771 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2CNCCc2c1
(2)InChI: InChI=1/C9H10FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
(3)InChIKey: IGFFEMNFESMQQW-UHFFFAOYAT