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Basic Information
CAS No.: 313950-41-3
Name: 1-BOC-2-ISOPROPYL-PIPERIDIN-4-ONE
Molecular Structure:
Molecular Structure of 313950-41-3 (1-BOC-2-ISOPROPYL-PIPERIDIN-4-ONE)
Formula: C13H23NO3
Molecular Weight: 241.331
Synonyms: tert-Butyl2-isopropyl-4-oxopiperidine-1-carboxylate;
Density: 1.034 g/cm3
Boiling Point: 325.7 °C at 760 mmHg
Flash Point: 150.8 °C
PSA: 46.61000
LogP: 2.54890
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Specification

The 1-Piperidinecarboxylicacid, 2-(1-methylethyl)-4-oxo-, 1,1-dimethylethyl ester, with the CAS registry number 313950-41-3, is also known as 2-Isopropyl-4-oxopiperidine, N-BOC protected 97%. It belongs to the product categories of Pyrans, Piperidines & Piperazines; Pyrans, Piperidines & Piperazines. This chemical's molecular formula is C13H23NO3 and molecular weight is 241.3266. Its systematic name is called tert-butyl 2-isopropyl-4-oxo-piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 2-(1-methylethyl)-4-oxo-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.472; (7)Molar Refractivity: 65.43 cm3; (8)Molar Volume: 233.3 cm3; (9)Surface Tension: 35.7 dyne/cm; (10)Density: 1.034 g/cm3; (11)Flash Point: 150.8 °C; (12)Enthalpy of Vaporization: 56.79 kJ/mol; (13)Boiling Point: 325.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000226 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C1CC(=O)CCN1C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H23NO3/c1-9(2)11-8-10(15)6-7-14(11)12(16)17-13(3,4)5/h9,11H,6-8H2,1-5H3
(3)InChIKey: GEHRUAIXGSWYPC-UHFFFAOYAB