ChemSpider 2D Image | 2-{4-[(2,2-Dichloro-1-methylcyclopropyl)carbonyl]-1,4-diazepan-1-yl}-N-ethylacetamide | C14H23Cl2N3O2

2-{4-[(2,2-Dichloro-1-methylcyclopropyl)carbonyl]-1,4-diazepan-1-yl}-N-ethylacetamide

  • Molecular FormulaC14H23Cl2N3O2
  • Average mass336.257 Da
  • Monoisotopic mass335.116730 Da
  • ChemSpider ID26136977

More details:

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

1H-1,4-Diazepine-1-acetamide, 4-[(2,2-dichloro-1-methylcyclopropyl)carbonyl]-N-ethylhexahydro- [ACD/Index Name]
2-{4-[(2,2-Dichlor-1-methylcyclopropyl)carbonyl]-1,4-diazepan-1-yl}-N-ethylacetamid [German] [ACD/IUPAC Name]
2-{4-[(2,2-Dichloro-1-methylcyclopropyl)carbonyl]-1,4-diazepan-1-yl}-N-ethylacetamide [ACD/IUPAC Name]
2-{4-[(2,2-Dichloro-1-méthylcyclopropyl)carbonyl]-1,4-diazépan-1-yl}-N-éthylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.4±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 51.94
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 113.02
Polar Surface Area: 53 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 260.4±5.0 cm3

Click to predict properties on the Chemicalize site


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