ChemSpider 2D Image | 3-Bromo-4-(1-piperazinylmethyl)benzoic acid | C12H15BrN2O2

3-Bromo-4-(1-piperazinylmethyl)benzoic acid

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID23960252

More details:

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

1131594-48-3 [RN]
3-Brom-4-(1-piperazinylmethyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(1-piperazinylmethyl)benzoic acid [ACD/IUPAC Name]
3-Bromo-4-[(piperazin-1-yl)methyl]benzoic acid
Acide 3-bromo-4-(1-pipérazinylméthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-piperazinylmethyl)- [ACD/Index Name]
3-bromo-4-(piperazin-1-ylmethyl)benzoic acid
MFCD11110916 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 430.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.1±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement