ChemSpider 2D Image | 3-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]propanoic acid | C14H18ClFN2O2

3-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]propanoic acid

  • Molecular FormulaC14H18ClFN2O2
  • Average mass300.756 Da
  • Monoisotopic mass300.104095 Da
  • ChemSpider ID29304446

More details:

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

1-Piperazinepropanoic acid, 4-[(2-chloro-6-fluorophenyl)methyl]- [ACD/Index Name]
3-[4-(2-Chlor-6-fluorbenzyl)-1-piperazinyl]propansäure [German] [ACD/IUPAC Name]
3-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[4-(2-chloro-6-fluorobenzyl)-1-pipérazinyl]propanoïque [French] [ACD/IUPAC Name]
1154639-88-9 [RN]
3-(4-(2-Chloro-6-fluorobenzyl)piperazin-1-yl)propanoic acid
3-[4-(2-Chloro-6-fluorobenzyl)piperazin-1-yl]propanoic acid
3-[4-(2-Chloro-6-fluorobenzyl)-piperazin-1-yl]propanoic acid
3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
3-{4-[(2-CHLORO-6-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}PROPANOIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 429.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.6±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

Click to predict properties on the Chemicalize site


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