ChemSpider 2D Image | 9-(2-Hydroxyethyl)-1-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one | C16H25N5O4

9-(2-Hydroxyethyl)-1-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one

  • Molecular FormulaC16H25N5O4
  • Average mass351.401 Da
  • Monoisotopic mass351.190643 Da
  • ChemSpider ID29729317

More details:

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

1,4,9-Triazaspiro[5.6]dodecan-10-one, 9-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]- [ACD/Index Name]
9-(2-Hydroxyethyl)-1-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-on [German] [ACD/IUPAC Name]
9-(2-Hydroxyethyl)-1-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one [ACD/IUPAC Name]
9-(2-Hydroxyéthyl)-1-méthyl-4-[(4-méthyl-1,2,5-oxadiazol-3-yl)carbonyl]-1,4,9-triazaspiro[5.6]dodécan-10-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.14
Polar Surface Area: 103 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 260.3±5.0 cm3

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