ChemSpider 2D Image | 1-[5-(4-Chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-isopropyl-1H-tetrazol-5-yl)methyl]ethanamine | C15H18ClN7O

1-[5-(4-Chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-isopropyl-1H-tetrazol-5-yl)methyl]ethanamine

  • Molecular FormulaC15H18ClN7O
  • Average mass347.803 Da
  • Monoisotopic mass347.126129 Da
  • ChemSpider ID30431692

More details:

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

1,2,4-Oxadiazole-3-methanamine, 5-(4-chlorophenyl)-α-methyl-N-[[1-(1-methylethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
1-[5-(4-Chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-isopropyl-1H-tetrazol-5-yl)methyl]ethanamine [ACD/IUPAC Name]
1-[5-(4-Chlorophényl)-1,2,4-oxadiazol-3-yl]-N-[(1-isopropyl-1H-tétrazol-5-yl)méthyl]éthanamine [French] [ACD/IUPAC Name]
1-[5-(4-Chlorphenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-isopropyl-1H-tetrazol-5-yl)methyl]ethanamin [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 91.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.42
ACD/KOC (pH 5.5): 280.03
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.44
ACD/KOC (pH 7.4): 280.29
Polar Surface Area: 95 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 240.8±7.0 cm3

Click to predict properties on the Chemicalize site


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