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ChemSpider 2D Image | Tris(benzyltriazolylmethyl)amine | C30H30N10

Tris(benzyltriazolylmethyl)amine

  • Molecular FormulaC30H30N10
  • Average mass530.626 Da
  • Monoisotopic mass530.265503 Da
  • ChemSpider ID24770352

More details:

Date of deprecation: 10:56, Oct 12, 2015
Reason for deprecation: Deprecate record: appears to be an example of a text-mining / name-to-structure conversion error - suspect the intended steructure was: http://www.chemspider.com/Chemical-Structure.9378431.html

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1H-1,2,3-Triazole-4-methanamine, α-(phenylmethyl)-N,N-bis[2-phenyl-1-(1H-1,2,3-triazol-4-yl)ethyl]- [ACD/Index Name]
2-Phenyl-N,N-bis[2-phenyl-1-(1H-1,2,3-triazol-4-yl)ethyl]-1-(1H-1,2,3-triazol-4-yl)ethanamin [German] [ACD/IUPAC Name]
2-Phenyl-N,N-bis[2-phenyl-1-(1H-1,2,3-triazol-4-yl)ethyl]-1-(1H-1,2,3-triazol-4-yl)ethanamine [ACD/IUPAC Name]
2-Phényl-N,N-bis[2-phényl-1-(1H-1,2,3-triazol-4-yl)éthyl]-1-(1H-1,2,3-triazol-4-yl)éthanamine [French] [ACD/IUPAC Name]
Tris(benzyltriazolylmethyl)amine [Wiki]
Tris-(benzyltriazolylmethyl)amine
tris-(benzyltriazolylmethyl) amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2913.88
ACD/KOC (pH 5.5): 10495.62
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2712.15
ACD/KOC (pH 7.4): 9769.00
Polar Surface Area: 128 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 395.6±3.0 cm3

Click to predict properties on the Chemicalize site


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