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| CAS No.: | 858643-95-5 |
|---|---|
| Name: | Tert-butyl3-acetylpyrrolidine-1-carboxylate |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C11H19NO3 |
| Molecular Weight: | 213.27 |
| Synonyms: | Tert-butyl 3-acetylpyrrolidine-1-carboxylate;3-Acetyl-pyrrolidine-1-carboxylic acid tert-butyl ester; |
| Density: | 1.076 g/cm3 |
| Boiling Point: | 293.83 °C at 760 mmHg |
| Flash Point: | 131.504 °C |
| PSA: | 46.61000 |
| LogP: | 1.77030 |
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- Total:22 Page 1 of 1 1
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Specification
The 1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester is an organic compound with the formula C11H19NO3. The IUPAC name of this chemical is Tert-butyl 3-acetylpyrrolidine-1-carboxylate. With the CAS registry number 858643-95-5, it is also named as 3-Acetyl-pyrrolidine-1-carboxylic acid tert-butyl ester. Besides, its molecular weight is 213.27.
The physical properties of 1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.181; (3)ACD/LogD (pH 7.4): 1.181; (4)ACD/BCF (pH 5.5): 4.649; (5)ACD/BCF (pH 7.4): 4.649; (6)ACD/KOC (pH 5.5): 104.543; (7)ACD/KOC (pH 7.4): 104.543; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 56.033 cm3; (13)Molar Volume: 198.209 cm3; (14)Polarizability: 22.213×10-24 cm3; (15)Surface Tension: 38.051 dyne/cm; (16)Density: 1.076 g/cm3; (17)Flash Point: 131.504 °C; (18)Enthalpy of Vaporization: 53.343 kJ/mol; (19)Boiling Point: 293.83 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3
(3)InChIKey: WTNNGFYIEBJFPX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3
(5)Std. InChIKey: WTNNGFYIEBJFPX-UHFFFAOYSA-N