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Search term: PTTQFGUARQDXSA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[4-(Dimethylamino)-5-phenyl-2H-1,2,3-triazol-2-yl]propanoic acid | C13H16N4O2

3-[4-(Dimethylamino)-5-phenyl-2H-1,2,3-triazol-2-yl]propanoic acid

  • Molecular FormulaC13H16N4O2
  • Average mass260.292 Da
  • Monoisotopic mass260.127319 Da
  • ChemSpider ID34221290

More details:

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

2H-1,2,3-Triazole-2-propanoic acid, 4-(dimethylamino)-5-phenyl- [ACD/Index Name]
3-[4-(Dimethylamino)-5-phenyl-2H-1,2,3-triazol-2-yl]propanoic acid [ACD/IUPAC Name]
3-[4-(Dimethylamino)-5-phenyl-2H-1,2,3-triazol-2-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(diméthylamino)-5-phényl-2H-1,2,3-triazol-2-yl]propanoïque [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: 494.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.18
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 208.7±7.0 cm3

Click to predict properties on the Chemicalize site


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