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| CAS No.: | 885270-86-0 |
|---|---|
| Name: | Tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H20N2O2 |
| Molecular Weight: | 212.292 |
| Synonyms: | 2,6-Diaza-spiro[3.4]octane-6-carboxylic acid tert-butyl ester;Tert-butyl2,6-diazaspiro[3.4]octane-6-carboxylate,98%;6-Boc-2,6-diazaspiro[3.4]...;Tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate(6-Boc-2,6-diazaspiro[3,4]octane);6-Boc-2,6-diazaspiro[3.4]octane;2,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-diMethylethyl ester;tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate oxalate salt |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 301.3 °C at 760 mmHg |
| Flash Point: | 136 °C |
| PSA: | 41.57000 |
| LogP: | 1.48350 |
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Specification
This chemical is called 2,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester, and its IUPAC name is tert-butyl 2,7-diazaspiro[3.4]octane-7-carboxylate. With the molecular formula of C11H20N2O2, its molecular weight is 212.29. The CAS registry number of this chemical is 885270-86-0.
Other characteristics of the 2,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 0.93; (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: 1.521; (8)Molar Refractivity: 58.29 cm3; (9)Molar Volume: 191.3 cm3; (10)Polarizability: 23.11×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.1 g/cm3; (13)Flash Point: 136 °C; (14)Enthalpy of Vaporization: 54.14 kJ/mol; (15)Boiling Point: 301.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CNC2
2.InChI: InChI=1/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(8-13)6-12-7-11/h12H,4-8H2,1-3H3
3.InChIKey: BGUYAMZPJMTFRU-UHFFFAOYAU