ChemSpider 2D Image | 3,6-Dimethyl-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide | C22H26N6O2

3,6-Dimethyl-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide

  • Molecular FormulaC22H26N6O2
  • Average mass406.481 Da
  • Monoisotopic mass406.211731 Da
  • ChemSpider ID30657395

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,4,5-Tetrazine-1,4-dicarboxamide, 3,6-dimethyl-N1,N4-bis[(1S)-1-phenylethyl]- [ACD/Index Name]
3,6-Dimethyl-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazin-1,4-dicarboxamid [German] [ACD/IUPAC Name]
3,6-Dimethyl-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide [ACD/IUPAC Name]
3,6-Diméthyl-N,N'-bis[(1S)-1-phényléthyl]-1,2,4,5-tétrazine-1,4-dicarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 117.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 184.71
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.30
ACD/KOC (pH 7.4): 184.71
Polar Surface Area: 89 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

Click to predict properties on the Chemicalize site


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