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Piperidine,1-(4-bromophenyl)-

  • Name Piperidine,1-(4-bromophenyl)-
  • EINECSN/A
  • CAS No. 22148-20-5
  • Density1.349g/cm3
  • PSA3.24000
  • LogP3.50440
  • SolubilityN/A
  • Melting Point74.5-76.1°C
  • FormulaC11H14BrN
  • Boiling Point322.8 °C at 760 mmHg
  • Molecular Weight240.143
  • Flash Point149 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 22148-20-5 (1-(4-BROMOPHENYL)PIPERIDINE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data28

Piperidine,1-(4-bromophenyl)- Specification

The Piperidine,1-(4-bromophenyl)-, with CAS registry number 22148-20-5, has the systematic name of 1-(4-bromophenyl)piperidine. Besides this, it is also called N-(4-Bromophenyl)piperidine. And the chemical formula of this chemical is C11H14BrN.

Physical properties of Piperidine,1-(4-bromophenyl)-: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 167.75; (6)ACD/BCF (pH 7.4): 410.37; (7)ACD/KOC (pH 5.5): 1050.22; (8)ACD/KOC (pH 7.4): 2569.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 58.75 cm3; (15)Molar Volume: 177.8 cm3; (16)Polarizability: 23.29×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 56.47 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000273 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)N2CCCCC2
(2)InChI: InChI=1/C11H14BrN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
(3)InChIKey: OACWQRGNHICZFD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H14BrN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
(5)Std. InChIKey: OACWQRGNHICZFD-UHFFFAOYSA-N

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