Xanthane(2,1,9-def)isoquinolinedisulfonic acid, 2-(2-hydroxyethyl)-1,3-dioxo-, bis(2-ethanolamine) salt

Base Information

• Chemical Name: Xanthane(2,1,9-def)isoquinolinedisulfonic acid, 2-(2-hydroxyethyl)-1,3-dioxo-, bis(2-ethanolamine) salt
• CAS No.: 72845-94-4
• Molecular Formula: C24H27N3O12S2
• Molecular Weight: 613.61
• European Community (EC) Number: 635-294-5
• Mol file: 72845-94-4.mol

Synonyms:72845-94-4;2-Hydroxyethylazanium;14-(2-hydroxyethyl)-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-4,6-disulfonate;Xanthane(2,1,9-def)isoquinolinedisulfonic acid, 2-(2-hydroxyethyl)-1,3-dioxo-, bis(2-ethanolamine) salt;SCHEMBL19460443;AKOS024319200

Chemical Property of Xanthane(2,1,9-def)isoquinolinedisulfonic acid, 2-(2-hydroxyethyl)-1,3-dioxo-, bis(2-ethanolamine) salt

Chemical Property:

• PSA: 290.44000
• LogP: 2.77480
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 613.10361565
• Heavy Atom Count: 41
• Complexity: 1030

Purity/Quality:

98%Min ^*data from raw suppliers

BENZOXANTHENE YELLOW 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C(O4)C(=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)N(C2=O)CCO.C(CO)[NH3+].C(CO)[NH3+]