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| CAS No.: | 147804-30-6 |
|---|---|
| Name: | 1-OXA-6-AZASPIRO[2.5]OCTANE-6-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER |
| Article Data: | 99 |
| Molecular Structure: | |
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| Formula: | C11H19NO3 |
| Molecular Weight: | 213.277 |
| Synonyms: | 6-Aza-1-oxaspiro[2.5]octane-6-carboxylic acid tert-butylester;tert-Butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate;1,1-Dimethylethyl1-oxa-6-azaspiro[2.5]octane-6-carboxylate;1-Oxa-6-azaspiro[2.5]octane-6-carboxylicacid tert-butyl ester; |
| EINECS: | 687-899-9 |
| Density: | 1.123 g/cm3 |
| Melting Point: | 50-52℃ |
| Boiling Point: | 297.624 °C at 760 mmHg |
| Flash Point: | 133.799 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 22-26-36/37/39-45 |
| PSA: | 42.07000 |
| LogP: | 1.72420 |
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Specification
The 1-Oxa-6-azaspiro[2.5]octane-6-carboxylicacid, 1,1-dimethylethyl ester, with the CAS registry number 147804-30-6, is also known as 1,1-Dimethylethyl1-oxa-6-azaspiro[2.5]octane-6-carboxylate. This chemical's molecular formula is C11H19NO3 and molecular weight is 213.27. What's more, its systematic name is tert-butyl 2-oxa-6-azaspiro[2.5]octane-6-carboxylate.
Physical properties of 1-Oxa-6-azaspiro[2.5]octane-6-carboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 72; (8)ACD/KOC (pH 7.4): 72; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.07 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 56.386 cm3; (15)Molar Volume: 189.932 cm3; (16)Polarizability: 22.353×10-24cm3; (17)Surface Tension: 39.548 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 133.799 °C; (20)Enthalpy of Vaporization: 53.749 kJ/mol; (21)Boiling Point: 297.624 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CO2
(2)InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(5-7-12)8-14-11/h4-8H2,1-3H3
(3)InChIKey: ULSBMKGFFFMGOI-UHFFFAOYSA-N