ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 2,2'-({[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}imino)diacetate | C20H29N5O4

Bis(2-methyl-2-propanyl) 2,2'-({[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}imino)diacetate

  • Molecular FormulaC20H29N5O4
  • Average mass403.475 Da
  • Monoisotopic mass403.221954 Da
  • ChemSpider ID30658174

More details:

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

2,2'-({[1-(4-Pyridinyl)-1H-1,2,3-triazol-4-yl]méthyl}imino)diacétate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 2,2'-({[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}imino)diacetate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-2,2'-({[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl}imino)diacetat [German] [ACD/IUPAC Name]
Glycine, N-[2-(1,1-dimethylethoxy)-2-oxoethyl]-N-[[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 272.0±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.79
ACD/KOC (pH 5.5): 756.20
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.85
ACD/KOC (pH 7.4): 756.76
Polar Surface Area: 99 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 346.1±7.0 cm3

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