ChemSpider 2D Image | 2,2-Dimethyl-3-[1-(2-phosphonoethyl)-1H-1,2,3-triazol-4-yl]propanoic acid | C9H16N3O5P

2,2-Dimethyl-3-[1-(2-phosphonoethyl)-1H-1,2,3-triazol-4-yl]propanoic acid

  • Molecular FormulaC9H16N3O5P
  • Average mass277.214 Da
  • Monoisotopic mass277.082764 Da
  • ChemSpider ID93685674

More details:

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

1H-1,2,3-Triazole-4-propanoic acid, α,α-dimethyl-1-(2-phosphonoethyl)- [ACD/Index Name]
2,2-Dimethyl-3-[1-(2-phosphonoethyl)-1H-1,2,3-triazol-4-yl]propanoic acid [ACD/IUPAC Name]
2,2-Dimethyl-3-[1-(2-phosphonoethyl)-1H-1,2,3-triazol-4-yl]propansäure [German] [ACD/IUPAC Name]
Acide 2,2-diméthyl-3-[1-(2-phosphonoéthyl)-1H-1,2,3-triazol-4-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 559.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -5.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 179.8±7.0 cm3

Click to predict properties on the Chemicalize site


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