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| CAS No.: | 1086394-57-1 |
|---|---|
| Name: | tert-butyl 2,6-diazaspiro[3.5]nonane-2-carboxylate |
| Molecular Structure: | |
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| Formula: | C12H22N2O2 |
| Molecular Weight: | 226.32 |
| Synonyms: | tert-butyl 2,6-diazaspiro[3.5]nonane-2-carboxylate;2-Boc-2,6-diazaspiro[3.5]nonane;2,6-Diazaspiro[3.5]nonane-2-carboxylic acid, 1,1-diMethylethyl ester |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 319.4 °C at 760 mmHg |
| Flash Point: | 147 °C |
| PSA: | 41.57000 |
| LogP: | 2.27530 |
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Specification
This chemical is called tert-Butyl 3-(piperidin-3-yl)azetidine-1-carboxylate, and it's also named as 2,6-Diazaspiro[3.5]nonane-2-carboxylic acid tert-butyl ester. With the molecular formula of C12H22N2O2, its molecular weight is 226.32. The CAS registry number of this chemical is 1086394-57-1.
Other characteristics of the tert-Butyl 3-(piperidin-3-yl)azetidine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 62.92 cm3; (9)Molar Volume: 207.7 cm3; (10)Polarizability: 24.94×10-24cm3; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 147 °C; (14)Enthalpy of Vaporization: 56.1 kJ/mol; (15)Boiling Point: 319.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000339 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1CC2(C1)CCCNC2
2.InChI: InChI=1/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12(9-14)5-4-6-13-7-12/h13H,4-9H2,1-3H3
3.InChIKey: ZEYUNZHFLQBWNJ-UHFFFAOYAY