ChemSpider 2D Image | 5-[(1S)-1-Aminobutyl]-1,2,4-triazolidine-3,4-diamine | C6H18N6

5-[(1S)-1-Aminobutyl]-1,2,4-triazolidine-3,4-diamine

  • Molecular FormulaC6H18N6
  • Average mass174.247 Da
  • Monoisotopic mass174.159302 Da
  • ChemSpider ID110091493

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1,2,4-Triazolidine-3,4-diamine, 5-[(1S)-1-aminobutyl]- [ACD/Index Name]
5-[(1S)-1-Aminobutyl]-1,2,4-triazolidin-3,4-diamin [German] [ACD/IUPAC Name]
5-[(1S)-1-Aminobutyl]-1,2,4-triazolidine-3,4-diamine [ACD/IUPAC Name]
5-[(1S)-1-Aminobutyl]-1,2,4-triazolidine-3,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 295.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 132.7±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -6.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 159.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement