ChemSpider 2D Image | 1-{4-[(1-Cyclopropyl-1H-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl}ethanone | C12H20N6O

1-{4-[(1-Cyclopropyl-1H-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl}ethanone

  • Molecular FormulaC12H20N6O
  • Average mass264.327 Da
  • Monoisotopic mass264.169861 Da
  • ChemSpider ID26202347

More details:

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

1-{4-[(1-Cyclopropyl-1H-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(1-Cyclopropyl-1H-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl}ethanone [ACD/IUPAC Name]
1-{4-[(1-Cyclopropyl-1H-tétrazol-5-yl)méthyl]-1,4-diazépan-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(1-cyclopropyl-1H-tetrazol-5-yl)methyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.4±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 71.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.02
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.10
Polar Surface Area: 67 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 183.2±7.0 cm3

Click to predict properties on the Chemicalize site


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