ChemSpider 2D Image | 1-[6-Hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-2-propoxyethanone | C13H23N5O3

1-[6-Hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-2-propoxyethanone

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID30955409

More details:






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

1-[6-Hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-2-propoxyethanon [German] [ACD/IUPAC Name]
1-[6-Hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-2-propoxyethanone [ACD/IUPAC Name]
1-[6-Hydroxy-4-(1H-1,2,3-triazol-4-ylméthyl)-1,4-diazépan-1-yl]-2-propoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-6-hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1H-1,4-diazepin-1-yl]-2-propoxy- [ACD/Index Name]
1-(propoxyacetyl)-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-6-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.45
Polar Surface Area: 95 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 233.5±3.0 cm3

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