ChemSpider 2D Image | 3-(1H-1,2,4-Triazol-1-yl)-2-butanamine | C6H12N4

3-(1H-1,2,4-Triazol-1-yl)-2-butanamine

  • Molecular FormulaC6H12N4
  • Average mass140.186 Da
  • Monoisotopic mass140.106201 Da
  • ChemSpider ID25995737

More details:

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

1H-1,2,4-Triazole-1-ethanamine, α,β-dimethyl- [ACD/Index Name]
3-(1H-1,2,4-Triazol-1-yl)-2-butanamin [German] [ACD/IUPAC Name]
3-(1H-1,2,4-Triazol-1-yl)-2-butanamine [ACD/IUPAC Name]
3-(1H-1,2,4-Triazol-1-yl)-2-butanamine [French] [ACD/IUPAC Name]
1247986-29-3 [RN]
3-(1H-1,2,4-triazol-1-yl)butan-2-amine
MFCD14626564 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 262.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.6±27.9 °C
Index of Refraction: 1.594
Molar Refractivity: 39.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 57 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 115.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement