6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

Base Information

• Chemical Name: 6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
• CAS No.: 54574-01-5
• Molecular Formula: C32H38 N2 O3
• Molecular Weight: 498.65572
• European Community (EC) Number: 259-237-5
• DSSTox Substance ID: DTXSID80885433
• Nikkaji Number: J69.913F
• Mol file: 54574-01-5.mol

Synonyms:54574-01-5;EINECS 259-237-5;6-(Diethylamino)-2-(octylamino)fluoran;6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one;Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-;C32H38N2O3;Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-(octylamino)-;6'-(Diethylamino)-2'-(octylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one;SCHEMBL4608296;DTXSID80885433;C32-H38-N2-O3;W-111096;6'-(N,N-Diethylamino)-2'-octylaminospiro[phthalide-3,9'-[9H]xanthene]

Chemical Property of 6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

Chemical Property:

• Boiling Point: 677.1oC at 760 mmHg
• Flash Point: 363.3oC
• PSA: 50.80000
• Density: 1.18g/cm3
• LogP: 7.94620
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 498.28824308
• Heavy Atom Count: 37
• Complexity: 742

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)N(CC)CC