Aluminum;2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate;trichloride

Base Information

• Chemical Name: Aluminum;2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate;trichloride
• CAS No.: 12227-77-9
• Molecular Formula: C84H90AlCl3N6O9
• Molecular Weight: 1460.9887
• European Community (EC) Number: 235-439-9
• DSSTox Substance ID: DTXSID201029702
• Mol file: 12227-77-9.mol

Synonyms:12227-77-9;aluminum;2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate;trichloride;DTXSID201029702;EINECS 235-439-9;Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride, aluminum salt;Aluminium chloride - 2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzoate (1:3:3)

Chemical Property of Aluminum;2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate;trichloride

Chemical Property:

• PSA: 137.07000
• LogP: 7.46370
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 18
• Exact Mass: 1458.565025
• Heavy Atom Count: 103
• Complexity: 805

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-].[Al+3].[Cl-].[Cl-].[Cl-]

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