ChemSpider 2D Image | tert-butyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate | C9H15N3O3

tert-butyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate

  • Molecular FormulaC9H15N3O3
  • Average mass213.234 Da
  • Monoisotopic mass213.111343 Da
  • ChemSpider ID28542730

More details:

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

[4-(Hydroxyméthyl)-1H-1,2,3-triazol-1-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1394041-94-1 [RN]
1H-1,2,3-Triazole-1-acetic acid, 4-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl [4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetat [German] [ACD/IUPAC Name]
tert-butyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
MFCD22375320

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 171.3±30.7 °C
Index of Refraction: 1.544
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.24
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.24
Polar Surface Area: 77 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 173.0±7.0 cm3

Click to predict properties on the Chemicalize site


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