Products Categories
| CAS No.: | 1805-65-8 |
|---|---|
| Name: | 2-TERT-BUTYL-1H-INDOLE |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H15N |
| Molecular Weight: | 173.258 |
| Synonyms: | 2-(tert-Butyl)indole;2-tert-Butylindole;Indole, 2-tert-butyl-;2-tert-Butyl-1H-indole;1H-indole, 2-(1,1-dimethylethyl)-; |
| Density: | 1.027 g/cm3 |
| Melting Point: | 75-76°C |
| Boiling Point: | 294.5 °C at 760 mmHg |
| Flash Point: | 122.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 15.79000 |
| LogP: | 3.46540 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:32 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
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 %.
.jpg)
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 %.
.jpg)
.jpg)
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