ChemSpider 2D Image | 1-{5-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-N-methyl-2-propanamine | C13H14ClN7O

1-{5-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-N-methyl-2-propanamine

  • Molecular FormulaC13H14ClN7O
  • Average mass319.750 Da
  • Monoisotopic mass319.094849 Da
  • ChemSpider ID63665612

More details:

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

1,2,4-Oxadiazole-3-ethanamine, 5-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-N,α-dimethyl- [ACD/Index Name]
1-{5-[5-Chlor-2-(1H-tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-N-methyl-2-propanamin [German] [ACD/IUPAC Name]
1-{5-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-N-methyl-2-propanamine [ACD/IUPAC Name]
1-{5-[5-Chloro-2-(1H-tétrazol-1-yl)phényl]-1,2,4-oxadiazol-3-yl}-N-méthyl-2-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 522.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.720
Molar Refractivity: 82.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.10
Polar Surface Area: 95 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 209.5±7.0 cm3

Click to predict properties on the Chemicalize site


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