ChemSpider 2D Image | (4-Amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone oxime | C9H16N6O3

(4-Amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone oxime

  • Molecular FormulaC9H16N6O3
  • Average mass256.262 Da
  • Monoisotopic mass256.128387 Da
  • ChemSpider ID28433483

More details:

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

(4-Amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone oxime
2-{4-[(4-Amino-1,2,5-oxadiazol-3-yl)(hydroxyimino)methyl]-1-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[(4-Amino-1,2,5-oxadiazol-3-yl)(hydroxyimino)methyl]-1-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[(4-Amino-1,2,5-oxadiazol-3-yl)(hydroxyimino)méthyl]-1-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
329922-45-4 [RN]
Methanone, (4-amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]-, oxime [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 509.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.1±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.43
Polar Surface Area: 124 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 154.1±7.0 cm3

Click to predict properties on the Chemicalize site


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