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1-Piperidinecarboxylicacid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester

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Name

1-Piperidinecarboxylicacid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester

EINECS N/A
CAS No. 162166-99-6 Density 1.175 g/cm3
PSA 81.29000 LogP 2.62840
Solubility N/A Melting Point N/A
Formula C12H23NO5S Boiling Point 418.78 °C at 760 mmHg
Molecular Weight 293.384 Flash Point 207.071 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 162166-99-6 (1-BOC-3-METHANESULFONYLOXYMETHYL-PIPERIDINE) Hazard Symbols N/A
Synonyms

3-[(Methanesulfonyloxy)methyl]piperidine-1-carboxylic acid tert-butyl ester;

Article Data 25

1-Piperidinecarboxylicacid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester Specification

The 1-Piperidinecarboxylicacid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester, with CAS registry number 162166-99-6, has the systematic name of tert-butyl 3-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylate. Besides this, it is also called 1-Boc-3-methanesulfonyloxymethyl-piperidine. And the chemical formula of this chemical is C12H23NO5S.

Physical properties of 1-Piperidinecarboxylicacid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester: (1)ACD/LogP: 1.33; (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): 83; (8)ACD/KOC (pH 7.4): 83; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.29 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 71.848 cm3; (15)Molar Volume: 249.664 cm3; (16)Polarizability: 28.483×10-24cm3; (17)Surface Tension: 39.833 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 207.071 °C; (20)Enthalpy of Vaporization: 67.238 kJ/mol; (21)Boiling Point: 418.78 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CS(=O)(=O)OCC1CCCN(C1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-6-10(8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
(3)InChIKey: NEZJCDLNARUJSX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-6-10(8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
(5)Std. InChIKey: NEZJCDLNARUJSX-UHFFFAOYSA-N

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