ChemSpider 2D Image | CHEMBRDG-BB 4012111 | C9H15N3O2

CHEMBRDG-BB 4012111

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID21612547

More details:

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

1,2,4-Oxadiazole, 3-(2-methoxyethyl)-5-(2-pyrrolidinyl)- [ACD/Index Name]
3-(2-Methoxyethyl)-5-(2-pyrrolidinyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(2-Methoxyethyl)-5-(2-pyrrolidinyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(2-Méthoxyéthyl)-5-(2-pyrrolidinyl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
3-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
915920-00-2 [RN]
CHEMBRDG-BB 4012111
MFCD08691540 [MDL number]
3-(2-Methoxyethyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 152.8±30.7 °C
Index of Refraction: 1.494
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.42
Polar Surface Area: 60 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 173.9±3.0 cm3

Click to predict properties on the Chemicalize site


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