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1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid

  • Name 1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid
  • EINECSN/A
  • CAS No. 167262-68-2
  • Density1.176 g/cm3
  • PSA66.84000
  • LogP2.97780
  • SolubilityN/A
  • Melting Point187-189°C
  • FormulaC17H23NO4
  • Boiling Point450 °C at 760 mmHg
  • Molecular Weight305.374
  • Flash Point226 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 167262-68-2 (BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data23

1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid Specification

This chemical is called 1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid, and its CAS registry number is 167262-68-2. With the molecular formula of C17H23NO4, its product category is Pharmacetical.

Other characteristics of the 1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27 ; (4)ACD/BCF (pH 5.5): 2.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.34; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 81.89 cm3; (14)Molar Volume: 259.5 cm3; (15)Polarizability: 32.46×10-24cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.176 g/cm3; (18)Flash Point: 226 °C; (19)Enthalpy of Vaporization: 74.7 kJ/mol; (20)Boiling Point: 450 °C at 760 mmHg; (21)Vapour Pressure: 6.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N2CCC(c1ccccc1)(C(=O)O)CC2
2.InChI: InChI=1/C17H23NO4/c1-16(2,3)22-15(21)18-11-9-17(10-12-18,14(19)20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)
3.InChIKey: ZDWOYDIXKYSZPX-UHFFFAOYAA

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