ChemSpider 2D Image | tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate | C8H13N3O3

tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate

  • Molecular FormulaC8H13N3O3
  • Average mass199.207 Da
  • Monoisotopic mass199.095688 Da
  • ChemSpider ID21801541

More details:

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

1142202-21-8 [RN]
1H-1,2,4-Triazole-1-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(hydroxymethyl)-1H-1,2,4-triazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-1H-1,2,4-triazol-1-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-1H-1,2,4-triazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate
tert-Butyl 3-(hydroxymethyl)-1H-1,2,4-triazole-1-carboxylate
[1142202-21-8] [RN]
tert-butyl 3-(hydroxymethyl)-1,2,4-triazolecarboxylate
TERT-BUTYL-3-(HYDROXYMETHYL)-1H-1,2,4-TRIAZOLE-1-CARBOXYLATE

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

MFCD12028207 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 341.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 160.5±28.4 °C
Index of Refraction: 1.550
Molar Refractivity: 50.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.51
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.51
Polar Surface Area: 77 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 156.9±7.0 cm3

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