ChemSpider 2D Image | 2-(4-Methyl-1-piperidinyl)benzonitrile | C13H16N2

2-(4-Methyl-1-piperidinyl)benzonitrile

  • Molecular FormulaC13H16N2
  • Average mass200.279 Da
  • Monoisotopic mass200.131348 Da
  • ChemSpider ID24062089

More details:






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

2-(4-Methyl-1-piperidinyl)benzonitril [German] [ACD/IUPAC Name]
2-(4-Methyl-1-piperidinyl)benzonitrile [ACD/IUPAC Name]
2-(4-Méthyl-1-pipéridinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(4-methyl-1-piperidinyl)- [ACD/Index Name]
[158115-67-4]
158115-67-4 [RN]
'158115-67-4
2-(4-Methylpiperidin-1-yl)benzonitrile
2-(4-METHYLPIPERIDINO)BENZONITRILE
AN-2808
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-24634]
    • Safety:

      20/21/22 Novochemy [NC-24634]
      20/21/36/37/39 Novochemy [NC-24634]
      GHS07; GHS09 Novochemy [NC-24634]
      H332; H403 Novochemy [NC-24634]
      P309+P311; P211; P242 Novochemy [NC-24634]
      R22 Novochemy [NC-24634]
      Warning Novochemy [NC-24634]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 341.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 146.7±12.4 °C
Index of Refraction: 1.566
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 26.91
ACD/KOC (pH 5.5): 212.55
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 171.69
ACD/KOC (pH 7.4): 1356.09
Polar Surface Area: 27 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 186.9±5.0 cm3

Click to predict properties on the Chemicalize site






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