ChemSpider 2D Image | tert-butyl N-(1H-1,2,4-triazol-3-yl)carbamate | C7H12N4O2

tert-butyl N-(1H-1,2,4-triazol-3-yl)carbamate

  • Molecular FormulaC7H12N4O2
  • Average mass184.196 Da
  • Monoisotopic mass184.096024 Da
  • ChemSpider ID23979125

More details:

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

1,1-Dimethylethyl N-1H-1,2,4-triazol-5-ylcarbamate
160416-01-3 [RN]
1H-1,2,4-Triazol-3-ylcarbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1H-1,2,4-triazol-3-ylcarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1H-1,2,4-triazol-3-ylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-1H-1,2,4-triazol-3-yl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-(1H-1,2,4-triazol-3-yl)carbamate
Carbamic acid, 1H-1,2,4-triazol-3-yl-, 1,1-dimethylethyl ester (9CI)
MFCD18831570
tert-butyl 1H-1,2,4-triazol-3-ylcarbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 79.53
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 79.32
Polar Surface Area: 80 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


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