ChemSpider 2D Image | 4-((3-(Hydroxymethyl)piperidin-1-yl)methyl)benzonitrile | C14H18N2O

4-((3-(Hydroxymethyl)piperidin-1-yl)methyl)benzonitrile

  • Molecular FormulaC14H18N2O
  • Average mass230.305 Da
  • Monoisotopic mass230.141907 Da
  • ChemSpider ID28539338

More details:

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

1155505-48-8 [RN]
4-((3-(Hydroxymethyl)piperidin-1-yl)methyl)benzonitrile
4-{[3-(Hydroxymethyl)-1-piperidinyl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{[3-(Hydroxymethyl)-1-piperidinyl]methyl}benzonitrile [ACD/IUPAC Name]
4-{[3-(Hydroxyméthyl)-1-pipéridinyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[3-(hydroxymethyl)-1-piperidinyl]methyl]- [ACD/Index Name]
4-(3-Hydroxymethylpiperidin-1-ylmethyl)benzonitrile
4-(3-Hydroxymethylpiperidin-1-ylmethyl)-benzonitrile
4-(3-Hydroxymethyl-piperidin-1-ylmethyl)-benzonitrile
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 364.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.1±23.7 °C
Index of Refraction: 1.583
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 30.00
Polar Surface Area: 47 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 200.7±5.0 cm3

Click to predict properties on the Chemicalize site


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