ChemSpider 2D Image | 1-(4-Ethynylphenyl)piperidine | C13H15N

1-(4-Ethynylphenyl)piperidine

  • Molecular FormulaC13H15N
  • Average mass185.265 Da
  • Monoisotopic mass185.120453 Da
  • ChemSpider ID21374335

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Ethinylphenyl)piperidin [German] [ACD/IUPAC Name]
1-(4-Ethynylphenyl)piperidine [ACD/IUPAC Name]
1-(4-Ethynyl-phenyl)-piperidine
1-(4-Éthynylphényl)pipéridine [French] [ACD/IUPAC Name]
41876-66-8 [RN]
4'-N-Piperidinophenyl acetylene
MFCD03839993 [MDL number]
Piperidine, 1-(4-ethynylphenyl)- [ACD/Index Name]
(4-ethynylphenyl)piperidine
(4-Piperidinophenyl)acetylene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 307.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 127.6±20.0 °C
    Index of Refraction: 1.577
    Molar Refractivity: 58.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 155.64
    ACD/KOC (pH 5.5): 1269.77
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 164.59
    ACD/KOC (pH 7.4): 1342.82
    Polar Surface Area: 3 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 44.7±5.0 dyne/cm
    Molar Volume: 177.4±5.0 cm3

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