-
Name
N-BOC-3-MESYLOXYPIPERIDINE
- EINECS
- CAS No. 129888-60-4
- Article Data27
- CAS DataBase
- Density 1.22 g/cm3
- Solubility
- Melting Point
- Formula C11H21NO5S
- Boiling Point 407.2 °C at 760 mmHg
- Molecular Weight 279.357
- Flash Point 200.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-Boc-3-mesyloxypiperidine;
- PSA 81.29000
- LogP 2.38080
1-Piperidinecarboxylicacid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester Specification
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
Related Products
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- 1-Piperidinecarboxylicacid, 2-ethyl-4-oxo-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester
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- 1-Piperidinecarboxylicacid, 3-(ethylamino)-, 1,1-dimethylethyl ester
- 1-Piperidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester,(3S)-
- 1-Piperidinecarboxylicacid, 3,3-dimethyl-4-oxo-, 1,1-dimethylethyl ester
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