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| CAS No.: | 169206-67-1 |
|---|---|
| Name: | tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C13H22N2O3 |
| Molecular Weight: | 254.329 |
| Synonyms: | 2-Methyl-2-propanyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate; |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 424.873 °C at 760 mmHg |
| Flash Point: | 210.756 °C |
| PSA: | 58.64000 |
| LogP: | 1.79030 |
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Specification
The tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate, with the CAS registry number 169206-67-1, is also known as 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester. This chemical's molecular formula is C13H22N2O3 and molecular weight is 254.33. What's more, its systematic name is called 2-Methyl-2-propanyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
Physical properties about tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate are: (1)ACD/LogP: -0.025; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 23.09; (8)ACD/KOC (pH 7.4): 23.09; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.64 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 67.674 cm3; (15)Molar Volume: 221.067 cm3; (16)Polarizability: 26.828×10-24cm3; (17)Surface Tension: 44.054 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 210.756 °C; (20)Enthalpy of Vaporization: 67.943 kJ/mol; (21)Boiling Point: 424.873 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCC1(CC(=O)NC1)CC2
(2) InChI: InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)
(3) InChIKey: HNMWIKVFYHYBKX-UHFFFAOYSA-N