ChemSpider 2D Image | (4-Bromo-1-ethyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-piperazinyl]methanone | C14H22BrN3O2

(4-Bromo-1-ethyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-piperazinyl]methanone

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID30345746

More details:

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

(4-Brom-1-ethyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(4-Bromo-1-ethyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(4-Bromo-1-éthyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (4-bromo-1-ethyl-1H-pyrrol-2-yl)[4-(2-hydroxypropyl)-1-piperazinyl]- [ACD/Index Name]
1-[4-(4-BROMO-1-ETHYL-1H-PYRROLE-2-CARBONYL)PIPERAZIN-1-YL]PROPAN-2-OL
1-[4-(4-BROMO-1-ETHYLPYRROLE-2-CARBONYL)PIPERAZIN-1-YL]PROPAN-2-OL
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4566998/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 491.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.7±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 82.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.45
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 97.87
Polar Surface Area: 49 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 238.8±7.0 cm3

Click to predict properties on the Chemicalize site


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