ChemSpider 2D Image | 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one | C23H28N4O

2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one

  • Molecular FormulaC23H28N4O
  • Average mass376.495 Da
  • Monoisotopic mass376.226318 Da
  • ChemSpider ID16743856

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one
4,4'-{[(1S,3S)-2-Oxo-1,3-cycloheptandiyl]dimethylen}dibenzolcarboximidamid [German] [ACD/IUPAC Name]
4,4'-{[(1S,3S)-2-Oxo-1,3-cycloheptanediyl]bis(methylene)}dibenzenecarboximidamide [ACD/IUPAC Name]
4,4'-{[(1S,3S)-2-Oxo-1,3-cycloheptanediyl]diméthylène}dibenzènecarboximidamide [French] [ACD/IUPAC Name]
Benzenecarboximidamide, 4,4'-[[(1S,3S)-2-oxo-1,3-cycloheptanediyl]bis(methylene)]bis- [ACD/Index Name]
AHI
BBA
BIS-BENZAMIDINE
DESCARBOXY-NOR-N(ω)-HYDROXY-L-ARGININE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 301.5±7.0 cm3

Click to predict properties on the Chemicalize site


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