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5-Aminoindole

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Name

5-Aminoindole

EINECS 225-977-2
CAS No. 5192-03-0 Density 1.268 g/cm3
Solubility insoluble in water Melting Point 131-133 °C (dec.)(lit.)
Formula C8H8N2 Boiling Point 354 °C at 760 mmHg
Molecular Weight 132.16 Flash Point 195 °C
Transport Information Appearance Grey Crystals
Safety 26-45-36/37 Risk Codes 22-36/37/38-68
Molecular Structure Molecular Structure of 5192-03-0 (5-Aminoindole) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Indol-5-ylamine;Indole, 5-amino-;1H-Indol-5-amine;5-Amino indole;5-Amino-1H-indole;

 

5-Aminoindole Specification

The CAS register number of 5-Aminoindole is 5192-03-0. It also can be called as Indole, 5-amino- and the IUPAC name about this chemical is 1H-indol-5-amine. The molecular formula about this chemical is C8H8N2 and the molecular weight is 132.16. It belongs to the following product categories, such as Indole Derivative; Indoles and derivatives; IndoleDerivative; Indoles; Indole Derivatives; Simple Indoles and so on. This chemical is stable under normal temperature and pressure. If you want to store it, the storage temperature must be at 0-6 °C, and it need keep in a dark, cool and dry place.

Physical properties about 5-Aminoindole are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 1.53; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 43.67; (7)ACD/KOC (pH 7.4): 57.06; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 8.17Å2; (12)Index of Refraction: 1.757; (13)Molar Refractivity: 42.76 cm3; (14)Molar Volume: 104.1 cm3; (15)Polarizability: 16.95x10-24cm3; (16)Surface Tension: 65.7 dyne/cm; (17)Enthalpy of Vaporization: 59.89 kJ/mol; (18)Boiling Point: 354 °C at 760 mmHg; (19)Vapour Pressure: 3.46E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-nitro-indole. This reaction will need reagent N2H4+H2O, Raney nickel and ethanol.

Uses of 5-Aminoindole: it can be used to produce N-indol-5-yl-benzamide with benzoyl chloride. This reaction will need reagent aqueous alkali and benzene.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin, it has possible risk of irreversible effects. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc[nH]2)cc1N
(2)InChI: InChI=1/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
(3)InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
(5)Std. InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N

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