ChemSpider 2D Image | 1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]methanamine | C30H30N10

1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]methanamine

  • Molecular FormulaC30H30N10
  • Average mass530.626 Da
  • Monoisotopic mass530.265503 Da
  • ChemSpider ID74008261

More details:

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

1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]methanamin [German] [ACD/IUPAC Name]
1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]methanamine [ACD/IUPAC Name]
1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N-[(1-benzyl-1H-1,2,3-triazol-4-yl)méthyl]-N-[(1-benzyl-1H-1,2,3-triazol-5-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanamine, 1-(phenylmethyl)-N-[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-N-[[1-(phenylmethyl)-1H-1,2,3-triazol-5-yl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.14
ACD/KOC (pH 5.5): 1958.62
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.98
ACD/KOC (pH 7.4): 1964.49
Polar Surface Area: 95 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 415.1±7.0 cm3

Click to predict properties on the Chemicalize site


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