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| CAS No.: | 240401-27-8 |
|---|---|
| Name: | 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H21NO3 |
| Molecular Weight: | 227.304 |
| Synonyms: | 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester;1,1-dimethylethyl 2-oxa-7-azaspiro[3,5]nonane-7-carboxylate;2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacid;2-oxa-7-azaspiro[3,5]nonane-7-carboxylic acid tert-butyl ester;tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate;7-Boc-2-oxa-7-azaspiro[3.5]nonane, 95%;7-Boc-2-oxa-7-azaspiro[3....;2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-diMethylethyl |
| Density: | 1.102 g/cm3 |
| Melting Point: | 31-70°C |
| Boiling Point: | 315.83 °C at 760 mmHg |
| Flash Point: | 144.809 °C |
| PSA: | 38.77000 |
| LogP: | 1.97180 |
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Specification
The 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacid, 1,1-dimethylethyl ester is an organic compound with the formula C12H21NO3. The systematic name of this chemical is tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate. With the CAS registry number 240401-27-8, it is also named as 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester.
Physical properties about 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 106; (7)ACD/KOC (pH 7.4): 106; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.77 Å2; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 61.017 cm3; (13)Molar Volume: 206.28 cm3; (14)Polarizability: 24.189×10-24cm3; (15)Surface Tension: 39.268 dyne/cm; (16)Density: 1.102 g/cm3; (17)Flash Point: 144.809 °C; (18)Enthalpy of Vaporization: 55.711 kJ/mol; (19)Boiling Point: 315.83 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)COC2
(2)InChI: InChI=1/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
(3)InChIKey: YVHPBSHIEPPQDC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
(5)Std. InChIKey: YVHPBSHIEPPQDC-UHFFFAOYSA-N