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| CAS No.: | 5318-27-4 |
|---|---|
| Name: | 6-Aminoindole |
| Article Data: | 27 |
| Molecular Structure: | |
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|
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| Formula: | C8H8N2 |
| Molecular Weight: | 132.165 |
| Synonyms: | 1H-indol-6-amine;3-Chloro-N-[(E)-(4-diethylamino-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide;6-Amino-1H-indole; |
| EINECS: | 226-176-0 |
| Density: | 1.268 g/cm3 |
| Melting Point: | 75-79 °C |
| Boiling Point: | 354 °C at 760 mmHg |
| Flash Point: | 195 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 41.81000 |
| LogP: | 2.33130 |
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Specification
The IUPAC name of 6-Aminoindole is 1H-indol-6-amine. With the CAS registry number 5318-27-4, it is also named as 6-Indolamine. The product's categories are Indoles and Derivatives; Indole; Indoles; Simple Indoles; Building Blocks; Heterocyclic Building Blocks. Besides, it is air sensitive, which should be sealed in a cool and dry place. In addition, its molecular formula is C8H8N2 and molecular weight is 132.16.
The other characteristics of this product can be summarized as: (1)EINECS: 226-176-0; (2)ACD/LogP: 0.86; (3)# of Rule of 5 Violations: 0; (4)#H bond acceptors: 2; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 8.17 Å2; (8)Index of Refraction: 1.757; (9)Molar Refractivity: 42.76 cm3; (10)Molar Volume: 104.1 cm3; (11)Polarizability: 16.95×10-24cm3; (12)Surface Tension: 65.7 dyne/cm; (13)Density: 1.268 g/cm3; (14)Flash Point: 195 °C; (15)Melting point: 75-79 °C; (16)Enthalpy of Vaporization: 59.89 kJ/mol; (17)Boiling Point: 354 °C at 760 mmHg; (18)Vapour Pressure: 3.46E-05 mmHg at 25 °C.
Preparation of 6-Aminoindole: this chemical can be prepared by 6-Nitro-indole.
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This reaction needs 10percent Pd/C, Ethyl acetate and H2 at pressure of 2587.7. The yield is 100 %.
Uses of 6-Aminoindole: this chemical is used for synthesis of various compounds in organic synthesis. Additionally, it can react with Acetic acid anhydride to get N-Indol-6-yl-acetamide.
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This reaction needs Benzene at temperature of 25 °C for 4.5 hours. The yield is 59 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC2=C1C=CN2)N
(2)InChI: InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
(3)InChIKey: MIMYTSWNVBMNRH-UHFFFAOYSA-N