Basic information
- CAS
54574-01-5- Standard SMILES
CCCCCCCCNc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(N(CC)CC)cc1O2- InChIKey
NMDQDUHQWBIVNL-UHFFFAOYSA-N- Molecular formula
- C32H38N2O3
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.28824308
Names & identifiers
- Preferred name
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-
- IUPAC
- 6'-(diethylamino)-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 6'-(diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C32H38N2O3
- Molecular weight
- 498.66
Names & synonyms
DTXSID80885433Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-(octylamino)-RefChem:888825DTXCID00102481354574-01-5EINECS 259-237-56-(Diethylamino)-2-(octylamino)fluoranSCHEMBL4608296NMDQDUHQWBIVNL-UHFFFAOYSA-NNS000562376'-(Diethylamino)-2'-(octylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
Show more names
6'-(N,N-Diethylamino)-2'-octylaminospiro[phthalide-3,9'-[9H]xanthene]2-(Octylamino)-6-(diethylamino)spiro[9H-xanthene-9,1'(3'H)-isobenzofuran]-3'-one6'-(diethylamino)-2'-(octylamino)-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one6'-(diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
6'-(Diethylamino)-2'-(octylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 742
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)- (54574-01-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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