ChemSpider 2D Image | 1-[(3-Butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(4-chloro-2-nitrophenyl)piperazine | C17H22ClN5O3

1-[(3-Butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(4-chloro-2-nitrophenyl)piperazine

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID22427174

More details:

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

1-[(3-Butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(4-chlor-2-nitrophenyl)piperazin [German] [ACD/IUPAC Name]
1-[(3-Butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(4-chloro-2-nitrophenyl)piperazine [ACD/IUPAC Name]
1-[(3-Butyl-1,2,4-oxadiazol-5-yl)méthyl]-4-(4-chloro-2-nitrophényl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(4-chloro-2-nitrophenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.9±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 442.27
ACD/KOC (pH 5.5): 2704.41
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.14
ACD/KOC (pH 7.4): 2777.01
Polar Surface Area: 91 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement