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

3-Ethoxy-1-[6-hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-1-propanone

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID30927123

More details:

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

1-Propanone, 3-ethoxy-1-[hexahydro-6-hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
3-Ethoxy-1-[6-hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-1-propanon [German] [ACD/IUPAC Name]
3-Ethoxy-1-[6-hydroxy-4-(1H-1,2,3-triazol-4-ylmethyl)-1,4-diazepan-1-yl]-1-propanone [ACD/IUPAC Name]
3-Éthoxy-1-[6-hydroxy-4-(1H-1,2,3-triazol-4-ylméthyl)-1,4-diazépan-1-yl]-1-propanone [French] [ACD/IUPAC Name]
1-(3-ethoxypropanoyl)-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.1±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: -0.88
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.98
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.73
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

Click to predict properties on the Chemicalize site


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