4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid

Base Information

• Chemical Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
• CAS No.: 5131-70-4
• Molecular Formula: C40H44 N12 O16 S4
• Molecular Weight: 1077.10816
• European Community (EC) Number: 225-880-5
• Wikidata: Q76313930
• Mol file: 5131-70-4.mol

Synonyms:EINECS 225-880-5;5131-70-4;4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid;4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(m-sulphoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid;SCHEMBL10487253;C40H44N12O16S4;C40-H44-N12-O16-S4;Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-

Chemical Property of 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid

Chemical Property:

• PSA: 463.86000
• LogP: 6.38540
• XLogP3: 1
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 24
• Exact Mass: 1076.18810806
• Heavy Atom Count: 72
• Complexity: 2010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O
• Isomeric SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O