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| CAS No.: | 575-85-9 |
|---|---|
| Name: | 6-FLUOROTRYPTAMINE |
| Molecular Structure: | |
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|
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| Formula: | C10H11FN2 |
| Molecular Weight: | 178.209 |
| Synonyms: | 6-Fluorotryptamine;2-(6-Fluoro-1H-indol-3-yl)ethanamine;2-(6-Fluoro-1H-indol-3-yl)-ethylamine;Indole,3-(2-aminoethyl)-6-fluoro- (6CI,7CI,8CI); |
| Density: | 1.249 g/cm3 |
| Melting Point: | 81-83 °C |
| Boiling Point: | 346 °C at 760 mmHg |
| Flash Point: | 163 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 41.81000 |
| LogP: | 2.50850 |
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Specification
The IUPAC name of 6-Fluorotryptamine is 2-(6-fluoro-1H-indol-3-yl)ethanamine. With the CAS registry number 575-85-9, it is also named as 1H-Indole-3-ethanamine,6-fluoro-. The product's categories are Tryptamines; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains; Other Fluorescent Labels. Besides, it is light sensitive, which should be stored at -20 °C. In addition, its molecular formula is C10H11FN2 and molecular weight is 178.21.
The other characteristics of 6-Fluorotryptamine can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.643; (8)Molar Refractivity: 51.6 cm3; (9)Molar Volume: 142.5 cm3; (10)Polarizability: 20.45×10-24cm3; (11)Surface Tension: 52.3 dyne/cm; (12)Density: 1.249 g/cm3; (13)Flash Point: 163 °C; (14)Melting Point: 81-83 °C; (15)Enthalpy of Vaporization: 59.01 kJ/mol; (16)Boiling Point: 346 °C at 760 mmHg; (17)Vapour Pressure: 5.95E-05 mmHg at 25 °C.
Uses of 6-Fluorotryptamine: it can react with 1,3-dioxo-1,3-dihydro-isoindole-2-carboxylic acid ethyl ester to get 2-[2-(6-fluoro-1H-indol-3-yl)-ethyl]-isoindole-1,3-dione.
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This reaction needs tetrahydrofuran by heating for 2 days. The yield is 85 %.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC2=C(C=C1F)NC=C2CCN
(2)InChI: InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
(3)InChIKey: BQTOKMYKZPCPRW-UHFFFAOYSA-N