9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide

Base Information

• Chemical Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide
• CAS No.: 13082-47-8
• Molecular Formula: C28H31 N2 O3 . H O
• Molecular Weight: 460.56468
• European Community (EC) Number: 235-992-6
• DSSTox Substance ID: DTXSID30884572
• Mol file: 13082-47-8.mol

Synonyms:13082-47-8;9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide;EINECS 235-992-6;Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide;Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide (1:1);[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;hydroxide;Ammonium, (9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, hydroxide;Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, hydroxide;C28H31N2O3.HO;DTXSID30884572;C28-H31-N2-O3.H-O

Chemical Property of 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide

Chemical Property:

• PSA: 79.98000
• LogP: 6.74790
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 460.23620751
• Heavy Atom Count: 34
• Complexity: 811

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

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

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