ChemSpider 2D Image | 1H-1,2,3,5-Tetrazepine | C3H4N4

1H-1,2,3,5-Tetrazepine

  • Molecular FormulaC3H4N4
  • Average mass96.091 Da
  • Monoisotopic mass96.043594 Da
  • ChemSpider ID28710773

More details:

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

1H-1,2,3,5-Tetrazepin [German] [ACD/IUPAC Name]
1H-1,2,3,5-Tetrazepine [ACD/Index Name] [ACD/IUPAC Name]
1H-1,2,3,5-Tétrazépine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 155.0±23.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.2±3.0 kJ/mol
Flash Point: 47.5±22.6 °C
Index of Refraction: 1.658
Molar Refractivity: 26.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.19
Polar Surface Area: 49 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 70.7±7.0 cm3

Click to predict properties on the Chemicalize site


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