ChemSpider 2D Image | N-{5-[(1S)-1-Chloroethyl]-1,3,4-oxadiazol-2-yl}-2-methyl-2H-tetrazol-5-amine | C6H8ClN7O

N-{5-[(1S)-1-Chloroethyl]-1,3,4-oxadiazol-2-yl}-2-methyl-2H-tetrazol-5-amine

  • Molecular FormulaC6H8ClN7O
  • Average mass229.627 Da
  • Monoisotopic mass229.047882 Da
  • ChemSpider ID96819360

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,4-Oxadiazol-2-amine, 5-[(1S)-1-chloroethyl]-N-(2-methyl-2H-tetrazol-5-yl)- [ACD/Index Name]
N-{5-[(1S)-1-Chlorethyl]-1,3,4-oxadiazol-2-yl}-2-methyl-2H-tetrazol-5-amin [German] [ACD/IUPAC Name]
N-{5-[(1S)-1-Chloroethyl]-1,3,4-oxadiazol-2-yl}-2-methyl-2H-tetrazol-5-amine [ACD/IUPAC Name]
N-{5-[(1S)-1-Chloroéthyl]-1,3,4-oxadiazol-2-yl}-2-méthyl-2H-tétrazol-5-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 404.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.2±29.3 °C
Index of Refraction: 1.788
Molar Refractivity: 53.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.19
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.19
Polar Surface Area: 95 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 125.3±7.0 cm3

Click to predict properties on the Chemicalize site


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