3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate

Base Information

• Chemical Name: 3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate
• CAS No.: 6638-02-4
• Molecular Formula: C37H37N2O6S2+
• Molecular Weight: 669.8289
• European Community (EC) Number: 229-640-0
• NSC Number: 47768
• DSSTox Substance ID: DTXSID5048001
• ChEMBL ID: CHEMBL4301164
• Mol file: 6638-02-4.mol

Synonyms:C.I. 42085;C.I. acid green 3;food green 1;guinea green B

Chemical Property of 3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 134.58000
• Density: g/cm³
• LogP: 8.62700
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 668.20147922
• Heavy Atom Count: 47
• Complexity: 1360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5

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