3',6'-Bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Base Information

• Chemical Name: 3',6'-Bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
• CAS No.: 150322-06-8
• Molecular Formula: C₂₅H₂₂N₂O₅
• Molecular Weight: 430.46
• DSSTox Substance ID: DTXSID00430944
• Nikkaji Number: J2.481.373H
• Wikidata: Q72445156
• Mol file: 150322-06-8.mol

Synonyms:150322-06-8;3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid;Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 3',6'-bis(dimethylamino)-3-oxo-;SCHEMBL16745253;DTXSID00430944;CS-0204442;3',6'-BIS(DIMETHYLAMINO)-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID

Chemical Property of 3',6'-Bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Chemical Property:

• Boiling Point: 702.7±60.0 °C(Predicted)
• PKA: 3.55±0.20(Predicted)
• PSA: 97.05000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 3.72780
• Solubility.: DMSO: soluble
• Water Solubility.: DMSO: soluble
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 430.15287181
• Heavy Atom Count: 32
• Complexity: 723

Purity/Quality:

99% ^*data from raw suppliers

6-CARBOXYTETRAMETHYLRHODAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F 8-10
• Hazard Codes: F 8-10
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3