ChemSpider 2D Image | 4-(2-Chloro-3-methylbutyl)-1-methyl-1,2,3-triazolidine | C8H18ClN3

4-(2-Chloro-3-methylbutyl)-1-methyl-1,2,3-triazolidine

  • Molecular FormulaC8H18ClN3
  • Average mass191.702 Da
  • Monoisotopic mass191.118927 Da
  • ChemSpider ID109300499

More details:

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

1,2,3-Triazolidine, 4-(2-chloro-3-methylbutyl)-1-methyl- [ACD/Index Name]
4-(2-Chlor-3-methylbutyl)-1-methyl-1,2,3-triazolidin [German] [ACD/IUPAC Name]
4-(2-Chloro-3-methylbutyl)-1-methyl-1,2,3-triazolidine [ACD/IUPAC Name]
4-(2-Chloro-3-méthylbutyl)-1-méthyl-1,2,3-triazolidine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 248.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 104.2±25.1 °C
Index of Refraction: 1.459
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 27 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 27.2±3.0 dyne/cm
Molar Volume: 191.1±3.0 cm3

Click to predict properties on the Chemicalize site


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