ChemSpider 2D Image | 3-Ethynylisoquinoline | C11H7N

3-Ethynylisoquinoline

  • Molecular FormulaC11H7N
  • Average mass153.180 Da
  • Monoisotopic mass153.057846 Da
  • ChemSpider ID28420429

More details:

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

3-Ethinylisochinolin [German] [ACD/IUPAC Name]
3-Éthynylisoquinoléine [French] [ACD/IUPAC Name]
3-Ethynylisoquinoline [ACD/IUPAC Name]
86520-97-0 [RN]
Isoquinoline, 3-ethynyl- [ACD/Index Name]
[86520-97-0] [RN]
3-ETHYNYLISOQUINOLINE|3-ETHYNYLISOQUINOLINE
MFCD18802534
tert-Butyl 3-(4-aminophenoxy)pyrrolidine-1-carboxylate

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: 1.1±0.1 g/cm3
    Boiling Point: 298.1±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 129.1±12.4 °C
    Index of Refraction: 1.650
    Molar Refractivity: 49.2±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 41.01
    ACD/KOC (pH 5.5): 496.22
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.14
    ACD/KOC (pH 7.4): 497.88
    Polar Surface Area: 13 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 134.8±5.0 cm3

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