ChemSpider 2D Image | N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amine | C9H17N5S

N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amine

  • Molecular FormulaC9H17N5S
  • Average mass227.330 Da
  • Monoisotopic mass227.120468 Da
  • ChemSpider ID28712797

More details:

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

1,2,4,5-Tetrazin-3-amine, N-hexyl-6-(methylthio)- [ACD/Index Name]
N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amin [German] [ACD/IUPAC Name]
N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amine [ACD/IUPAC Name]
N-Hexyl-6-(méthylsulfanyl)-1,2,4,5-tétrazin-3-amine [French] [ACD/IUPAC Name]
95573-59-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 383.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.5±23.2 °C
Index of Refraction: 1.539
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.14
ACD/KOC (pH 5.5): 676.46
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.14
ACD/KOC (pH 7.4): 676.53
Polar Surface Area: 89 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 198.0±5.0 cm3

Click to predict properties on the Chemicalize site


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