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CAS No.: | 106792-38-5 |
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Name: | 5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C14H21NOSi |
Molecular Weight: | 247.412 |
Synonyms: | 5-(tert-Butyldimethylsilanyloxy)-1H-indole;5-[(tert-Butyldimethylsilyl)oxy]-1H-indole;5-[(tert-Butyldimethylsilyl)oxy]indole; |
Density: | 1.013 g/cm3 |
Melting Point: | 60-62 °C |
Boiling Point: | 318.781 °C at 760 mmHg |
Flash Point: | 146.594 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful/Irritant/Keep "> Xi:Harmful/Irritant/Keep |
PSA: | 25.02000 |
LogP: | 4.55190 |
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This chemical is called 1H-Indole,5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, and its systematic name is 5-{[tert-butyl(dimethyl)silyl]oxy}-1H-indole. With the molecular formula of C14H21NOSi, its molecular weight is 247.41. The CAS registry number of this chemical is 106792-38-5. Additionally, its product categories are Blocks; Indoles Oxindoles.
Other characteristics of the 1H-Indole,5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.02 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 77.054 cm3; (15)Molar Volume: 244.193 cm3; (16)Polarizability: 30.547×10-24cm3; (17)Surface Tension: 31.948 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 146.594 °C; (20)Enthalpy of Vaporization: 53.801 kJ/mol; (21)Boiling Point: 318.781 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)[Si](C)(C)Oc1cc2ccnc2cc1
2.InChI: InChI=1/C14H21NOSi/c1-14(2,3)17(4,5)16-12-6-7-13-11(10-12)8-9-15-13/h6-10,15H,1-5H3
3.InChIKey: LUUANNCTVICLCJ-UHFFFAOYAA