ChemSpider 2D Image | 1-{3-[4-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2,2-dimethylpropyl}azepane | C21H37N5

1-{3-[4-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2,2-dimethylpropyl}azepane

  • Molecular FormulaC21H37N5
  • Average mass359.552 Da
  • Monoisotopic mass359.304901 Da
  • ChemSpider ID29656633

More details:

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

1-{3-[4-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2,2-dimethylpropyl}azepan [German] [ACD/IUPAC Name]
1-{3-[4-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2,2-dimethylpropyl}azepane [ACD/IUPAC Name]
1-{3-[4-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-1-pipéridinyl]-2,2-diméthylpropyl}azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[3-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2,2-dimethylpropyl]hexahydro- [ACD/Index Name]
1-{3-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-2,2-dimethylpropyl}azepane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.1±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.65
Polar Surface Area: 37 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 301.9±7.0 cm3

Click to predict properties on the Chemicalize site


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