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| CAS No.: | 16223-25-9 |
|---|---|
| Name: | ETHYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C13H16N2O |
| Molecular Weight: | 216.283 |
| Synonyms: | 1-Piperidin-4-yl-1,3-dihydroindol-2-one;2-Indolinone,1-(4-piperidyl)- (8CI);1-(Piperidin-4-yl)-1,3-dihydro-2H-indol-2-one; |
| Density: | 1.186 g/cm3 |
| Melting Point: | 171～174℃ |
| Boiling Point: | 441.5 °C at 760 mmHg |
| Flash Point: | 220.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 32.34000 |
| LogP: | 1.72150 |
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Specification
The 2H-Indol-2-one,1,3-dihydro-1-(4-piperidinyl)- is an organic compound with the formula C13H16N2O. The systematic name of this chemical is 1-Piperidin-4-yl-1,3-dihydro-2H-indol-2-one. With the CAS registry number 16223-25-9, it is also named as 5-Ethyl-1,2,4-oxadiazole-3-carboxylate. The product's categories are Esters; Oxadiazoles and Thiadiazoles; Oxadiazoles and Thiadiazoles. Besides, its molecular weight is 216.28.
Physical properties about 2H-Indol-2-one,1,3-dihydro-1-(4-piperidinyl)- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): -1.61; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 61.96 cm3; (14)Molar Volume: 182.2 cm3; (15)Polarizability: 24.56×10-24 cm3; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.186 g/cm3; (18)Flash Point: 220.8 °C; (19)Enthalpy of Vaporization: 69.88 kJ/mol; (20)Boiling Point: 441.5 °C at 760 mmHg; (21)Vapour Pressure: 5.42E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H16N2O/c16-13-9-10-3-1-2-4-12(10)15(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
(2)InChIKey: JQYYDAPQCHWQCC-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C13H16N2O/c16-13-9-10-3-1-2-4-12(10)15(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
(4)Std. InChIKey: JQYYDAPQCHWQCC-UHFFFAOYSA-N