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Name |
1-Piperidinecarboxylicacid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 129888-60-4 | Density | 1.22 g/cm3 |
PSA | 81.29000 | LogP | 2.38080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H21NO5S | Boiling Point | 407.2 °C at 760 mmHg |
Molecular Weight | 279.357 | Flash Point | 200.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-Boc-3-mesyloxypiperidine; |
Article Data | 27 |
The 1-Piperidinecarboxylicacid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester, with the CAS registry number of 129888-60-4, is also known as N-Boc-3-mesyloxypiperidine. Its molecular formula is C11H21NO5S and molecular weight is 279.353140. What's more, its IUPAC name is tert-Butyl 3-methylsulfonyloxypiperidine-1-carboxylate.
Physical properties about the 1-Piperidinecarboxylicacid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.81; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 53.18; (8)ACD/KOC (pH 7.4): 53.18; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.29 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 67.21 cm3; (15)Molar Volume: 228.4 cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.22 g/cm3; (18)Flash Point: 200.1 °C; (19)Enthalpy of Vaporization: 65.9 kJ/mol; (20)Boiling Point: 407.2 °C at 760 mmHg; (21)Vapour Pressure: 7.69E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OC1CCCN(C(=O)OC(C)(C)C)C1)C
(2) InChI: InChI=1/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-6-9(8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
(3) InChIKey: WLAZHMYDLUILKR-UHFFFAOYAY