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CAS No.: | 138343-77-8 |
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Name: | 1-Boc-7-azaindole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H14N2O2 |
Molecular Weight: | 218.255 |
Synonyms: | 7-Azaindole-1-carboxylic acid tert-butyl ester;tert-Butyl 1H-pyrrolo[2,3-b]pyridine-1-carboxylate; |
Density: | 1.144 g/cm3 |
Boiling Point: | 327.159 °C at 760 mmHg |
Flash Point: | 151.661 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 44.12000 |
LogP: | 2.81950 |
This chemical is called 1-Boc-7-azaindole, and its systematic name is tert-butyl 1H-pyrrolo[2,3-b]pyridine-1-carboxylate. With the molecular formula of C12H14N2O2, its molecular weight is 218.25. The CAS registry number of this chemical is 138343-77-8. In addition, this chemical is harmful if swallowed, please be careful when you use it.
Other characteristics of the 1-Boc-7-azaindole can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.43; (6)ACD/BCF (pH 7.4): 46.54; (7)ACD/KOC (pH 5.5): 542.47; (8)ACD/KOC (pH 7.4): 543.82; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 61.97 cm3; (15)Molar Volume: 190.8 cm3; (16)Polarizability: 24.56×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Flash Point: 151.7 °C; (19)Enthalpy of Vaporization: 56.94 kJ/mol; (20)Boiling Point: 327.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000206 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)n2ccc1cccnc12
2.InChI: InChI=1/C12H14N2O2/c1-12(2,3)16-11(15)14-8-6-9-5-4-7-13-10(9)14/h4-8H,1-3H3
3.InChIKey: SGZMGGUBXZBVPJ-UHFFFAOYAN