ChemSpider 2D Image | 1-(4H-1,2,4-Triazol-4-yl)guanidine | C3H6N6

1-(4H-1,2,4-Triazol-4-yl)guanidine

  • Molecular FormulaC3H6N6
  • Average mass126.120 Da
  • Monoisotopic mass126.065392 Da
  • ChemSpider ID21676058

More details:






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

1-(4H-1,2,4-Triazol-4-yl)guanidin [German] [ACD/IUPAC Name]
1-(4H-1,2,4-Triazol-4-yl)guanidine [ACD/IUPAC Name]
1-(4H-1,2,4-Triazol-4-yl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-4H-1,2,4-triazol-4-yl- [ACD/Index Name]
N-(4H-1,2,4-triazol-4-yl)guanidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 288.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 128.4±22.6 °C
Index of Refraction: 1.822
Molar Refractivity: 30.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 93 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 99.9±7.0 dyne/cm
Molar Volume: 70.6±7.0 cm3

Click to predict properties on the Chemicalize site






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