Product Name

  • Name

    (R)-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL METHANESULFONATE

  • EINECS
  • CAS No. 404577-34-0
  • Article Data17
  • 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 Molecular Structure of 404577-34-0 ((R)-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL METHANESULFONATE)
  • Hazard Symbols
  • Synonyms (R)-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL METHANESULFONATE;(R)-1-N-Boc-3-methanesulfonyloxypiperidine
  • PSA 81.29000
  • LogP 2.38080

(R)-1-N-Boc-3-methanesulfonyloxypiperidine Specification

The (R)-1-N-Boc-3-methanesulfonyloxypiperidine is an organic compound with the formula C11H21NO5S. The systematic name of this chemical is tert-butyl 4-[(methylsulfonyl)oxy]piperidine-1-carboxylate. With the CAS registry number 404577-34-0, it is also named as 1-Piperidinecarboxylic acid, 4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester.

Physical properties about (R)-1-N-Boc-3-methanesulfonyloxypiperidine are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.24; (5)ACD/BCF (pH 7.4): 2.24; (6)ACD/KOC (pH 5.5): 61.96; (7)ACD/KOC (pH 7.4): 61.96; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.29 Å2; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 67.21 cm3; (13)Molar Volume: 228.4 cm3; (14)Polarizability: 26.64×10-24cm3; (15)Surface Tension: 43.6 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 200.1 °C; (18)Enthalpy of Vaporization: 65.9 kJ/mol; (19)Boiling Point: 407.2 °C at 760 mmHg; (20)Vapour Pressure: 7.69E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC1CCN(C(=O)OC(C)(C)C)CC1)C
(2)InChI: InChI=1/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
(3)InChIKey: WOEQSXAIPTXOPY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
(5)Std. InChIKey: WOEQSXAIPTXOPY-UHFFFAOYSA-N

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