ChemSpider 2D Image | 3-Cyclobutyl-7-{[5-(methylcarbamoyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepinium | C21H26N3O2

3-Cyclobutyl-7-{[5-(methylcarbamoyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepinium

  • Molecular FormulaC21H26N3O2
  • Average mass352.449 Da
  • Monoisotopic mass352.201965 Da
  • ChemSpider ID21220453

  • Charge - Charge

More details:

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

1H-3-Benzazepinium, 3-cyclobutyl-2,3,4,5-tetrahydro-7-[[5-[(methylamino)carbonyl]-2-pyridinyl]oxy]- [ACD/Index Name]
3-Cyclobutyl-7-{[5-(methylcarbamoyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepinium [ACD/IUPAC Name]
3-Cyclobutyl-7-{[5-(methylcarbamoyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepinium [German] [ACD/IUPAC Name]
3-Cyclobutyl-7-{[5-(méthylcarbamoyl)-2-pyridinyl]oxy}-2,3,4,5-tétrahydro-1H-3-benzazépinium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 19.07
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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