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| CAS No.: | 324769-06-4 |
|---|---|
| Name: | 1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-4-OXOPIPERIDINE |
| Molecular Structure: | |
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| Formula: | C12H21NO3 |
| Molecular Weight: | 227.304 |
| Synonyms: | 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine;1-tert-Butoxycarbonyl-3,3-dimethyl-4-piperidone;1-tert-Butyloxycarbonyl-3,3-dimethyl-4-piperidone;3,3-Dimethyl-4-oxopiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl3,3-dimethyl-4-oxopiperidine-1-carboxylate; |
| Density: | 1.035 g/cm3 |
| Boiling Point: | 303.418 °C at 760 mmHg |
| Flash Point: | 137.303 °C |
| PSA: | 46.61000 |
| LogP: | 2.16040 |
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Specification
The CAS register number of 1-Piperidinecarboxylicacid, 3,3-dimethyl-4-oxo-, 1,1-dimethylethyl ester is 324769-06-4. It also can be called as 1-tert-Butyloxycarbonyl-3,3-dimethyl-4-piperidone and the IUPAC name about this chemical is tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate. The molecular formula about this chemical is C12H21NO3 and the molecular weight is 227.300040 g/mol.
Physical properties about 1-Piperidinecarboxylicacid, 3,3-dimethyl-4-oxo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 141; (7)ACD/KOC (pH 7.4): 141; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61Å2; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 60.892 cm3; (13)Molar Volume: 219.61 cm3; (14)Polarizability: 24.139x10-24cm3; (15)Surface Tension: 34.096 dyne/cm; (16)Flash Point: 137.303 °C; (17)Enthalpy of Vaporization: 54.371 kJ/mol; (18)Boiling Point: 303.418 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1
(2)InChI: InChI=1/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3
(3)InChIKey: MXCAGVCUIHYAGH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3
(5)Std. InChIKey: MXCAGVCUIHYAGH-UHFFFAOYSA-N