This chemical is called 2-tert-Butyl-1H-indole, and it can also be named as Indole, 2-tert-butyl-. With the CAS registry number of 1805-65-8, its product category is Indole. In addition, the molecular formula of 2-tert-Butyl-1H-indole is C₁₂H₁₅N, and its molecular weight is 173.25.

Other characteristics of the 2-tert-Butyl-1H-indole can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 480.07; (6)ACD/BCF (pH 7.4): 480.16; (7)ACD/KOC (pH 5.5): 2889.73; (8)ACD/KOC (pH 7.4): 2890.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 56.91 cm³; (15)Molar Volume: 168.5 cm³; (16)Polarizability: 22.56×10^-24 cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 51.27 kJ/mol; (21)Boiling Point: 294.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00285 mmHg at 25°C;(23)Melting Point: 75-76°C.

Preparation of this chemical: The product of 2-tert-butyl-indole can be obtained by reactants of phenylhydrazine and 3,3-dimethyl-butan-2-one, reagent of zinc chloride. In addition, this reaction should take for 20 minutes at the temperature of 190°C, and its yield is 41.6 %.

  

Uses of this chemical: The 2-tert-butyl-5-nitro-1H-indole could be made by the reactant of 2-tert-butyl-indole, and the reagents of NaNO₃ and H₂SO₄. In addition, the yield of 2-tert-butyl-5-nitro-1H-indole is 86 %.
 


You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1cc(n2)C(C)(C)C
(2)InChI: InChI=1/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
(3)InChIKey: WVPGIDWFLXGCLA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
(5)Std. InChIKey: WVPGIDWFLXGCLA-UHFFFAOYSA-N