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Search term: BDAOTIGDMBHTFV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}-2-azaspiro[4.6]undecane-1,3-dione | C22H33N5O2

2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}-2-azaspiro[4.6]undecane-1,3-dione

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID23154468

More details:

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

2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}-2-azaspiro[4.6]undecan-1,3-dion [German] [ACD/IUPAC Name]
2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}-2-azaspiro[4.6]undecane-1,3-dione [ACD/IUPAC Name]
2-{4-[4-(2-Pyrimidinyl)-1-pipérazinyl]butyl}-2-azaspiro[4.6]undécane-1,3-dione [French] [ACD/IUPAC Name]
2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-2-azaspiro[4.6]undecane-1,3-dione
2-Azaspiro[4.6]undecane-1,3-dione, 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- [ACD/Index Name]
2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-2-aza-spiro[4.6]undecane-1,3-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 13.89
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 75.66
ACD/KOC (pH 7.4): 609.61
Polar Surface Area: 70 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 326.8±5.0 cm3

Click to predict properties on the Chemicalize site


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