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1-N-Boc-4-(4-Bromophenyl)piperidine

  • Name 1-N-Boc-4-(4-Bromophenyl)piperidine
  • EINECSN/A
  • CAS No. 769944-78-7
  • Density1.283 g/cm3
  • PSA29.54000
  • LogP4.50150
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC16H22BrNO2
  • Boiling Point398.5 °C at 760 mmHg
  • Molecular Weight340.26
  • Flash Point194.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 769944-78-7 (1-N-Boc-4-(4-Bromophenyl)piperidine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data14

1-N-Boc-4-(4-Bromophenyl)piperidine Specification

The 1-N-Boc-4-(4-Bromophenyl)piperidine is an organic compound with the formula C16H22BrNO2. The systematic name of this chemical is tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate. With the CAS registry number 769944-78-7, it is also named as 4-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester.

Physical properties about 1-N-Boc-4-(4-Bromophenyl)piperidine are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 83.57 cm3; (9)Molar Volume: 265 cm3; (10)Polarizability: 33.13×10-24cm3; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.283 g/cm3; (13)Flash Point: 194.8 °C; (14)Enthalpy of Vaporization: 64.91 kJ/mol; (15)Boiling Point: 398.5 °C at 760 mmHg; (16)Vapour Pressure: 1.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C2CCN(CC2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
(3)InChIKey: UEOHLUHRQWYQRT-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
(5)Std. InChIKey: UEOHLUHRQWYQRT-UHFFFAOYSA-N

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