Disodium 1-phenyl-3-((4-((2-pyrimidinylamino)sulphonyl)phenyl)amino)propane-1,3-disulphonate

Base Information

• Chemical Name: Disodium 1-phenyl-3-((4-((2-pyrimidinylamino)sulphonyl)phenyl)amino)propane-1,3-disulphonate
• CAS No.: 97171-75-0
• Molecular Formula: C19H18N4Na2O8S3
• Molecular Weight: 572.54276
• European Community (EC) Number: 306-392-2
• DSSTox Substance ID: DTXSID60914073
• Nikkaji Number: J333.697B
• Mol file: 97171-75-0.mol

Synonyms:97171-75-0;Sodium 1-phenyl-3-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)amino)propane-1,3-disulfonate;EINECS 306-392-2;Disodium 1-phenyl-3-((4-((2-pyrimidinylamino)sulphonyl)phenyl)amino)propane-1,3-disulphonate;DTXSID60914073;CVEFAXSOHINGPV-UHFFFAOYSA-L;NS00065869;Disodium 1-phenyl-3-{4-[(pyrimidin-2-yl)sulfamoyl]anilino}propane-1,3-disulfonate

Chemical Property of Disodium 1-phenyl-3-((4-((2-pyrimidinylamino)sulphonyl)phenyl)amino)propane-1,3-disulphonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 223.52000
• Density: g/cm³
• LogP: 4.62560
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 572.00821563
• Heavy Atom Count: 36
• Complexity: 926

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

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