ChemSpider 2D Image | 4-[(4-Methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]aniline | C16H22N6O4S

4-[(4-Methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]aniline

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID22362423

More details:

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

1H-1,2,4-Triazole-1-ethanamine, N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]- [ACD/Index Name]
4-[(4-Methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]anilin [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]aniline [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipéridinyl)sulfonyl]-2-nitro-N-[2-(1H-1,2,4-triazol-1-yl)éthyl]aniline [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.68
ACD/KOC (pH 5.5): 354.93
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.77
ACD/KOC (pH 7.4): 356.16
Polar Surface Area: 134 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 265.1±7.0 cm3

Click to predict properties on the Chemicalize site


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