ChemSpider 2D Image | 3-Bromo-4-[4-(dimethylamino)-1-piperidinyl]benzonitrile | C14H18BrN3

3-Bromo-4-[4-(dimethylamino)-1-piperidinyl]benzonitrile

  • Molecular FormulaC14H18BrN3
  • Average mass308.217 Da
  • Monoisotopic mass307.068390 Da
  • ChemSpider ID32056820

More details:

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

1260893-59-1 [RN]
3-Brom-4-[4-(dimethylamino)-1-piperidinyl]benzonitril [German] [ACD/IUPAC Name]
3-Bromo-4-[4-(dimethylamino)-1-piperidinyl]benzonitrile [ACD/IUPAC Name]
3-Bromo-4-[4-(diméthylamino)-1-pipéridinyl]benzonitrile [French] [ACD/IUPAC Name]
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]benzonitrile
Benzonitrile, 3-bromo-4-[4-(dimethylamino)-1-piperidinyl]- [ACD/Index Name]
3-Bromo-4-(4-(dimethylamino)piperidin-1-yl)benzonitrile
3-Bromo-4-(4-(dimethylamino)-piperidin-1-yl)benzonitrile
MFCD11038783 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 413.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.8±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 14.92
Polar Surface Area: 30 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 222.6±5.0 cm3

Click to predict properties on the Chemicalize site


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