ChemSpider 2D Image | 1-[4-(4-Propyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)ethanone | C14H21N7O

1-[4-(4-Propyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)ethanone

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID22351856

More details:

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

1-[4-(4-Propyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-[4-(4-Propyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)ethanone [ACD/IUPAC Name]
1-[4-(4-Propyl-1H-1,2,3-triazol-1-yl)-1-pipéridinyl]-2-(1H-1,2,4-triazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(4-propyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
4-(4-propyl-1H-1,2,3-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylacetyl)piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 563.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.4±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 84.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.62
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.67
Polar Surface Area: 82 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 220.1±7.0 cm3

Click to predict properties on the Chemicalize site


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