ChemSpider 2D Image | 3-(3-Methyl-1-piperidinyl)propanenitrile | C9H16N2

3-(3-Methyl-1-piperidinyl)propanenitrile

  • Molecular FormulaC9H16N2
  • Average mass152.237 Da
  • Monoisotopic mass152.131348 Da
  • ChemSpider ID21800428

More details:

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

1-Piperidinepropanenitrile, 3-methyl- [ACD/Index Name]
3-(3-Methyl-1-piperidinyl)propanenitrile [ACD/IUPAC Name]
3-(3-Méthyl-1-pipéridinyl)propanenitrile [French] [ACD/IUPAC Name]
3-(3-Methyl-1-piperidinyl)propannitril [German] [ACD/IUPAC Name]
3-(3-Methylpiperidin-1-yl)propanenitrile
35266-03-6 [RN]
3-(3-methylpiperidyl)propanenitrile

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

MFCD09933128 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 255.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.3±3.0 kJ/mol
    Flash Point: 100.9±11.9 °C
    Index of Refraction: 1.460
    Molar Refractivity: 45.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): -1.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.82
    Polar Surface Area: 27 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 32.7±3.0 dyne/cm
    Molar Volume: 165.0±3.0 cm3

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