Tetrasodium 1,1'-((5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diyl)diimino)bis(3-phenylpropane-1,3-disulphonate)

Base Information

• Chemical Name: Tetrasodium 1,1'-((5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diyl)diimino)bis(3-phenylpropane-1,3-disulphonate)
• CAS No.: 97259-87-5
• Molecular Formula: C32H38 N4 O15 S4 . 4 Na
• Molecular Weight: 934.84924
• European Community (EC) Number: 306-451-2
• DSSTox Substance ID: DTXSID10914028
• Nikkaji Number: J333.717K
• Mol file: 97259-87-5.mol

Synonyms:97259-87-5;EINECS 306-451-2;Tetrasodium 1,1'-((5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diyl)diimino)bis(3-phenylpropane-1,3-disulphonate);tetrasodium;1-phenyl-3-[[2-[(3-phenyl-1,3-disulfonatopropyl)amino]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-yl]amino]propane-1,3-disulfonate;DTXSID10914028;IQJQDQLPOSULRT-UHFFFAOYSA-J;NS00065395;Tetrasodium 1-phenyl-3-({2-[(3-phenyl-1,3-disulfonatopropyl)amino]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4(3H)-ylidene}amino)propane-1,3-disulfonate

Chemical Property of Tetrasodium 1,1'-((5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diyl)diimino)bis(3-phenylpropane-1,3-disulphonate)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 343.08000
• Density: g/cm³
• LogP: 5.83090
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 934.0494282
• Heavy Atom Count: 59
• Complexity: 1570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2NC(CC(C3=CC=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(CC(C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

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