Leucoberbelin blue I

Base Information

• Chemical Name: Leucoberbelin blue I
• CAS No.: 52748-86-4
• Molecular Formula: C₂₃H₂₄N₂O₃S
• Molecular Weight: 408.521
• European Community (EC) Number: 637-073-9
• DSSTox Substance ID: DTXSID00328670
• Nikkaji Number: J3.493.866K
• Wikidata: Q82091350
• Mol file: 52748-86-4.mol

Synonyms:Leucoberbelin blue I;52748-86-4;2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid;Leuco berbelin blue I;SCHEMBL13817789;DTXSID00328670;MCKLFIWDQVFMEK-UHFFFAOYSA-N;Leucoberbelin Blue I, Dye content 65 %;J3.493.866K;Benzenesulfonic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-

Chemical Property of Leucoberbelin blue I

Chemical Property:

• Melting Point: >300 °C(lit.)
• PKA: -0.72±0.30(Predicted)
• PSA: 69.23000
• Density: 1.238g/cm³
• LogP: 5.32630
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 410.16641387
• Heavy Atom Count: 29
• Complexity: 572

Purity/Quality:

98%Min ^*data from raw suppliers

Leucoberbelin Blue I Dye content 65% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3S(=O)(=O)O