ChemSpider 2D Image | 1-[5-(Isopropylsulfonyl)-1,3,4-oxadiazol-2-yl]ethanamine | C7H13N3O3S

1-[5-(Isopropylsulfonyl)-1,3,4-oxadiazol-2-yl]ethanamine

  • Molecular FormulaC7H13N3O3S
  • Average mass219.261 Da
  • Monoisotopic mass219.067764 Da
  • ChemSpider ID21786479

More details:

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

1,3,4-Oxadiazole-2-methanamine, α-methyl-5-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
1-[5-(Isopropylsulfonyl)-1,3,4-oxadiazol-2-yl]ethanamin [German] [ACD/IUPAC Name]
1-[5-(Isopropylsulfonyl)-1,3,4-oxadiazol-2-yl]ethanamine [ACD/IUPAC Name]
1-[5-(Isopropylsulfonyl)-1,3,4-oxadiazol-2-yl]éthanamine [French] [ACD/IUPAC Name]
1092278-86-8 [RN]
MFCD11109232

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

Density: 1.3±0.1 g/cm3
Boiling Point: 359.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.3±28.4 °C
Index of Refraction: 1.501
Molar Refractivity: 50.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.84
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.49
Polar Surface Area: 107 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 171.1±3.0 cm3

Click to predict properties on the Chemicalize site


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